Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

1 – 15 of 334 results

Melamine, 99%

CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1

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PubChem CID	7955
CAS	108-78-1
Molecular Weight (g/mol)	126.12
ChEBI	CHEBI:27915
MDL Number	MFCD00006055
SMILES	NC1=NC(N)=NC(N)=N1
Synonym	melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr
IUPAC Name	1,3,5-triazine-2,4,6-triamine
InChI Key	JDSHMPZPIAZGSV-UHFFFAOYSA-N
Molecular Formula	C3H6N6

Phenazine, 99+%

CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00005023 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2

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Specifications

PubChem CID	4757
CAS	92-82-0
Molecular Weight (g/mol)	180.21
ChEBI	CHEBI:36674
MDL Number	MFCD00005023
SMILES	C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
Synonym	dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs
IUPAC Name	phenazine
InChI Key	PCNDJXKNXGMECE-UHFFFAOYSA-N
Molecular Formula	C12H8N2

2-Mercaptobenzothiazole, 97%

CAS: 149-30-4 Molecular Formula: C7H5NS2 Molecular Weight (g/mol): 167.244 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2

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Specifications

PubChem CID	697993
CAS	149-30-4
Molecular Weight (g/mol)	167.244
ChEBI	CHEBI:34292
MDL Number	MFCD00005781
SMILES	C1=CC=C2C(=C1)NC(=S)S2
Synonym	2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax
IUPAC Name	3H-1,3-benzothiazole-2-thione
InChI Key	YXIWHUQXZSMYRE-UHFFFAOYSA-N
Molecular Formula	C7H5NS2

Pyrrole, 98+%

CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1

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Specifications

PubChem CID	8027
CAS	109-97-7
Molecular Weight (g/mol)	67.09
ChEBI	CHEBI:19203
MDL Number	MFCD00005216
SMILES	N1C=CC=C1
Synonym	pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c
IUPAC Name	1H-pyrrole
InChI Key	KAESVJOAVNADME-UHFFFAOYSA-N
Molecular Formula	C4H5N

1,3,5-Triazine, 97%

CAS: 290-87-9 Molecular Formula: C3H3N3 Molecular Weight (g/mol): 81.08 MDL Number: MFCD00006044 InChI Key: JIHQDMXYYFUGFV-UHFFFAOYSA-N Synonym: s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t PubChem CID: 9262 ChEBI: CHEBI:30259 IUPAC Name: 1,3,5-triazine SMILES: C1=NC=NC=N1

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Specifications

PubChem CID	9262
CAS	290-87-9
Molecular Weight (g/mol)	81.08
ChEBI	CHEBI:30259
MDL Number	MFCD00006044
SMILES	C1=NC=NC=N1
Synonym	s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t
IUPAC Name	1,3,5-triazine
InChI Key	JIHQDMXYYFUGFV-UHFFFAOYSA-N
Molecular Formula	C3H3N3

1,2-Benzisothiazol-3-one, 97%

CAS: 2634-33-5 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00127753 InChI Key: DMSMPAJRVJJAGA-UHFFFAOYSA-N Synonym: 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one PubChem CID: 17520 ChEBI: CHEBI:167099 IUPAC Name: 1,2-benzothiazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NS2

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Specifications

PubChem CID	17520
CAS	2634-33-5
Molecular Weight (g/mol)	151.183
ChEBI	CHEBI:167099
MDL Number	MFCD00127753
SMILES	C1=CC=C2C(=C1)C(=O)NS2
Synonym	1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one
IUPAC Name	1,2-benzothiazol-3-one
InChI Key	DMSMPAJRVJJAGA-UHFFFAOYSA-N
Molecular Formula	C7H5NOS

5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water

CAS: 931-86-2 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006033,MFCD00149402,MFCD00051007 InChI Key: MFEFTTYGMZOIKO-UHFFFAOYSA-N Synonym: 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one PubChem CID: 19956 ChEBI: CHEBI:72474 SMILES: NC1=NC=NC(=O)N1

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Specifications

PubChem CID	19956
CAS	931-86-2
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:72474
MDL Number	MFCD00006033,MFCD00149402,MFCD00051007
SMILES	NC1=NC=NC(=O)N1
Synonym	5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one
InChI Key	MFEFTTYGMZOIKO-UHFFFAOYSA-N
Molecular Formula	C3H4N4O

4-Vinylpyridine, 95%, stab. with 80 to 150ppm hydroquinone

CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1

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Specifications

PubChem CID	7502
CAS	100-43-6
Molecular Weight (g/mol)	105.14
MDL Number	MFCD00006447
SMILES	C=CC1=CC=NC=C1
Synonym	4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine
IUPAC Name	4-ethenylpyridine
InChI Key	KFDVPJUYSDEJTH-UHFFFAOYSA-N
Molecular Formula	C7H7N

1-Phenyl-1H-tetrazole-5-thiol, 99%

CAS: 86-93-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00003129 InChI Key: GGZHVNZHFYCSEV-UHFFFAOYSA-N Synonym: 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol PubChem CID: 690730 ChEBI: CHEBI:79916 SMILES: S=C1N=NNN1C1=CC=CC=C1

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Specifications

PubChem CID	690730
CAS	86-93-1
Molecular Weight (g/mol)	178.21
ChEBI	CHEBI:79916
MDL Number	MFCD00003129
SMILES	S=C1N=NNN1C1=CC=CC=C1
Synonym	1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol
InChI Key	GGZHVNZHFYCSEV-UHFFFAOYSA-N
Molecular Formula	C7H6N4S

5-Phenyl-1H-tetrazole, 99%

CAS: 18039-42-4 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.153 MDL Number: MFCD00022388 InChI Key: MARUHZGHZWCEQU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van PubChem CID: 87425 IUPAC Name: 5-phenyl-2H-tetrazole SMILES: C1=CC=C(C=C1)C2=NNN=N2

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Specifications

PubChem CID	87425
CAS	18039-42-4
Molecular Weight (g/mol)	146.153
MDL Number	MFCD00022388
SMILES	C1=CC=C(C=C1)C2=NNN=N2
Synonym	5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van
IUPAC Name	5-phenyl-2H-tetrazole
InChI Key	MARUHZGHZWCEQU-UHFFFAOYSA-N
Molecular Formula	C7H6N4

2-Amino-5-mercapto-1,3,4-thiadiazole, 98%

CAS: 2349-67-9 Molecular Formula: C2H3N3S2 Molecular Weight (g/mol): 133.187 MDL Number: MFCD00003108 InChI Key: GDGIVSREGUOIJZ-UHFFFAOYSA-N Synonym: 5-amino-1,3,4-thiadiazole-2-thiol,2-amino-5-mercapto-1,3,4-thiadiazole,usaf pd-25,1,3,4-thiadiazole-2 3h-thione, 5-amino,unii-b1heg7v21s,5-amino-1,3,4-thiadiazole-2 3h-thione,2-amino-1,3,4-thiadiazole-5-thiol,2-thiol-5-amino-1,3,4-thiadiazole,ccris 6893,2-mercapto-5-amino-1,3,4-thiadiazole PubChem CID: 2723847 IUPAC Name: 5-amino-3H-1,3,4-thiadiazole-2-thione SMILES: C1(=NNC(=S)S1)N

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Specifications

PubChem CID	2723847
CAS	2349-67-9
Molecular Weight (g/mol)	133.187
MDL Number	MFCD00003108
SMILES	C1(=NNC(=S)S1)N
Synonym	5-amino-1,3,4-thiadiazole-2-thiol,2-amino-5-mercapto-1,3,4-thiadiazole,usaf pd-25,1,3,4-thiadiazole-2 3h-thione, 5-amino,unii-b1heg7v21s,5-amino-1,3,4-thiadiazole-2 3h-thione,2-amino-1,3,4-thiadiazole-5-thiol,2-thiol-5-amino-1,3,4-thiadiazole,ccris 6893,2-mercapto-5-amino-1,3,4-thiadiazole
IUPAC Name	5-amino-3H-1,3,4-thiadiazole-2-thione
InChI Key	GDGIVSREGUOIJZ-UHFFFAOYSA-N
Molecular Formula	C2H3N3S2

2,4,6-Tri(2-pyridyl)-1,3,5-triazine, 98%

CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1

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Specifications

PubChem CID	77258
CAS	3682-35-7
Molecular Weight (g/mol)	312.34
MDL Number	MFCD00006045
SMILES	C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
Synonym	2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine
InChI Key	KMVWNDHKTPHDMT-UHFFFAOYSA-N
Molecular Formula	C18H12N6

2-n-Butylthiophene, 98+%

CAS: 1455-20-5 Molecular Formula: C8H12S Molecular Weight (g/mol): 140.244 MDL Number: MFCD00022534 InChI Key: MNDZHERKKXUTOE-UHFFFAOYSA-N Synonym: 2-n-butylthiophene,thiophene, 2-butyl,2-n-butyl thiophene,ccris 6900,2-butyl-thiophene,thiophene, butyl,acmc-20c3ak PubChem CID: 73818 IUPAC Name: 2-butylthiophene SMILES: CCCCC1=CC=CS1

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Specifications

PubChem CID	73818
CAS	1455-20-5
Molecular Weight (g/mol)	140.244
MDL Number	MFCD00022534
SMILES	CCCCC1=CC=CS1
Synonym	2-n-butylthiophene,thiophene, 2-butyl,2-n-butyl thiophene,ccris 6900,2-butyl-thiophene,thiophene, butyl,acmc-20c3ak
IUPAC Name	2-butylthiophene
InChI Key	MNDZHERKKXUTOE-UHFFFAOYSA-N
Molecular Formula	C8H12S

Furfuryl alcohol, 98%

CAS: 98-00-0 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO

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Specifications

PubChem CID	7361
CAS	98-00-0
Molecular Weight (g/mol)	98.101
ChEBI	CHEBI:207496
MDL Number	MFCD00003252
SMILES	C1=COC(=C1)CO
Synonym	furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran
IUPAC Name	furan-2-ylmethanol
InChI Key	XPFVYQJUAUNWIW-UHFFFAOYSA-N
Molecular Formula	C5H6O2

2,3,5-Trimethylpyrazine, 99%

CAS: 14667-55-1 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.171 MDL Number: MFCD00006145 InChI Key: IAEGWXHKWJGQAZ-UHFFFAOYSA-N Synonym: trimethylpyrazine,pyrazine, trimethyl,2,3,5-trimethyl pyrazine,2,3,6-trimethylpyrazine,ccris 2932,unii-q8pr0w8tit,trimethyl pyrazine,trimethyl-pyrazine,fema no. 3244,pyrazine, 2,3,5-trimethyl PubChem CID: 26808 IUPAC Name: 2,3,5-trimethylpyrazine SMILES: CC1=CN=C(C(=N1)C)C

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Specifications

PubChem CID	26808
CAS	14667-55-1
Molecular Weight (g/mol)	122.171
MDL Number	MFCD00006145
SMILES	CC1=CN=C(C(=N1)C)C
Synonym	trimethylpyrazine,pyrazine, trimethyl,2,3,5-trimethyl pyrazine,2,3,6-trimethylpyrazine,ccris 2932,unii-q8pr0w8tit,trimethyl pyrazine,trimethyl-pyrazine,fema no. 3244,pyrazine, 2,3,5-trimethyl
IUPAC Name	2,3,5-trimethylpyrazine
InChI Key	IAEGWXHKWJGQAZ-UHFFFAOYSA-N
Molecular Formula	C7H10N2

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