Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

1 – 15 of 2,440 results

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Sucralose, Thermo Scientific™

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Specifications

Molecular Weight (g/mol)	397.63
Color	White
Physical Form	Crystalline Powder
Chemical Name or Material	Sucralose
Merck Index	XIII 8965
Specific Rotation Condition	(20°C, 589 nm) (c=1% aq. soln.)
CAS	56038-13-2
Infrared Spectrum	Conforms
MDL Number	03648615
Specific Rotation	84° to 88°
Packaging	Plastic bottle
Alpha Vector	SUCRALOSE
Synonym	Trichlorosucrose
RTECS Number	LW5440140
Recommended Storage	Normal conditions
Shelf Life	5 years
Molecular Formula	C12 H19 Cl3 O8
EINECS Number	259-952-2
Melting Point	130°C

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Methyl heptadecanoate, Thermo Scientific™

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Specifications

Boiling Point	152°C to 153°C
Molecular Weight (g/mol)	284.48
Color	Colorless or White to Yellow
Physical Form	Liquid or Powder
Chemical Name or Material	Methyl heptadecanoate
CAS	1731-92-6
Infrared Spectrum	Conforms
MDL Number	00009001
Packaging	Glass bottle
Flash Point	>110°C
Alpha Vector	METHYLHEPTADECANOATE
Synonym	Methyl margarate
Recommended Storage	Normal conditions
Shelf Life	5 years
Molecular Formula	C18 H36 O2
EINECS Number	217-055-3
Melting Point	29°C to 30°C

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Glass beads, 1.5 mm, Thermo Scientific Chemicals

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NADPH tetrasodium salt hydrate, 93%, extra pure, Thermo Scientific Chemicals

CAS: 2646-71-1 Molecular Formula: C21H26N7Na4O17P3 Molecular Weight (g/mol): 833.35 MDL Number: MFCD10567216 InChI Key: WYWWVJHQDVCHKF-NRTBITFTNA-J Synonym: nadph tetrasodium salt,nadph, tetrasodium salt,coenzyme ii tetrasodium salt reduced form PubChem CID: 131673986 IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;molecular hydrogen;sodium SMILES: [Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	131673986
CAS	2646-71-1
Molecular Weight (g/mol)	833.35
MDL Number	MFCD10567216
SMILES	[Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Synonym	nadph tetrasodium salt,nadph, tetrasodium salt,coenzyme ii tetrasodium salt reduced form
IUPAC Name	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;molecular hydrogen;sodium
InChI Key	WYWWVJHQDVCHKF-NRTBITFTNA-J
Molecular Formula	C21H26N7Na4O17P3

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Tyloxapol, Thermo Scientific Chemicals

CAS: 25301-02-4 MDL Number: MFCD00149002 Synonym: Ethoxylated p-tert-octylphenol formaldehyde polymer

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Specifications

CAS	25301-02-4
MDL Number	MFCD00149002
Synonym	Ethoxylated p-tert-octylphenol formaldehyde polymer

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CHAPS, 98%, Thermo Scientific Chemicals

CAS: 75621-03-3 Molecular Formula: C₃₂H₅₈N₂O₇S Molecular Weight (g/mol): 614.9 MDL Number: MFCD00012116 InChI Key: UMCMPZBLKLEWAF-GBSSQDIOSA-N Synonym: 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate PubChem CID: 134129639 IUPAC Name: 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate SMILES: CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

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Specifications

PubChem CID	134129639
CAS	75621-03-3
Molecular Weight (g/mol)	614.9
MDL Number	MFCD00012116
SMILES	CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Synonym	3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate
IUPAC Name	3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate
InChI Key	UMCMPZBLKLEWAF-GBSSQDIOSA-N
Molecular Formula	C₃₂H₅₈N₂O₇S

1,2-Bismaleimidoethane, Thermo Scientific Chemicals

CAS: 5132-30-9 Molecular Formula: C10H8N2O4 Molecular Weight (g/mol): 220.18 InChI Key: PUKLCKVOVCZYKF-UHFFFAOYSA-N IUPAC Name: 1-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione SMILES: O=C1C=CC(=O)N1CCN1C(=O)C=CC1=O

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Specifications

CAS	5132-30-9
Molecular Weight (g/mol)	220.18
SMILES	O=C1C=CC(=O)N1CCN1C(=O)C=CC1=O
IUPAC Name	1-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
InChI Key	PUKLCKVOVCZYKF-UHFFFAOYSA-N
Molecular Formula	C10H8N2O4

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Amikacin disulfate salt, Thermo Scientific Chemicals

CAS: 39831-55-5 Molecular Formula: C22H47N5O21S2 Molecular Weight (g/mol): 781.75 MDL Number: MFCD00167475,MFCD00167475 InChI Key: FXKSEJFHKVNEFI-GCZBSULCSA-N PubChem CID: 134129615 IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4S,5S)-5-amino-2-[(2S,3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid SMILES: OS(O)(=O)=O.OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O

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Specifications

PubChem CID	134129615
CAS	39831-55-5
Molecular Weight (g/mol)	781.75
MDL Number	MFCD00167475,MFCD00167475
SMILES	OS(O)(=O)=O.OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
IUPAC Name	(2S)-4-amino-N-[(1R,2S,3S,4S,5S)-5-amino-2-[(2S,3S,4S,5S,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
InChI Key	FXKSEJFHKVNEFI-GCZBSULCSA-N
Molecular Formula	C22H47N5O21S2

Sesamin, Thermo Scientific Chemicals

CAS: 607-80-7 Molecular Formula: C20H18O6 Molecular Weight (g/mol): 354.36 InChI Key: PEYUIKBAABKQKQ-AFHBHXEDSA-N IUPAC Name: 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole SMILES: C1OC2=CC=C(C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC=C2OCOC2=C1

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Specifications

CAS	607-80-7
Molecular Weight (g/mol)	354.36
SMILES	C1OC2=CC=C(C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC=C2OCOC2=C1
IUPAC Name	5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
InChI Key	PEYUIKBAABKQKQ-AFHBHXEDSA-N
Molecular Formula	C20H18O6

Silodosin, Thermo Scientific Chemicals

CAS: 160970-54-7 Molecular Formula: C25H32F3N3O4 Molecular Weight (g/mol): 495.54 InChI Key: PNCPYILNMDWPEY-QGZVFWFLSA-N IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide SMILES: C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F

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Specifications

CAS	160970-54-7
Molecular Weight (g/mol)	495.54
SMILES	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
IUPAC Name	1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
InChI Key	PNCPYILNMDWPEY-QGZVFWFLSA-N
Molecular Formula	C25H32F3N3O4

Dypnone, Thermo Scientific Chemicals

CAS: 495-45-4 Molecular Formula: C16H14O Molecular Weight (g/mol): 222.29 MDL Number: MFCD00043705 InChI Key: PLELHVCQAULGBH-OUKQBFOZSA-N Synonym: beta-Methylchalcone; beta-Methylstyryl phenyl ketone IUPAC Name: (2E)-1,3-diphenylbut-2-en-1-one SMILES: C\C(=C/C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	495-45-4
Molecular Weight (g/mol)	222.29
MDL Number	MFCD00043705
SMILES	C\C(=C/C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	beta-Methylchalcone; beta-Methylstyryl phenyl ketone
IUPAC Name	(2E)-1,3-diphenylbut-2-en-1-one
InChI Key	PLELHVCQAULGBH-OUKQBFOZSA-N
Molecular Formula	C16H14O

PDCBT, Thermo Scientific Chemicals

CAS: 1609536-17-5 Molecular Formula: C42H56O4S4 Molecular Weight (g/mol): 753.15 InChI Key: WZMUYZASTRRKIK-UHFFFAOYNA-N Synonym: Poly[5,5 '-bis(2-butyloctyl)-(2,2 '-bithiophene)-4,4 '-dicarboxylate-alt-5,5 '-2,2 '- bithiophene] SMILES: CCCCCCC(CCCC)COC(=O)C1=C(S[C]=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(C=[C]S1)C(=O)OCC(CCCC)CCCCCC

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Specifications

CAS	1609536-17-5
Molecular Weight (g/mol)	753.15
SMILES	CCCCCCC(CCCC)COC(=O)C1=C(S[C]=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(C=[C]S1)C(=O)OCC(CCCC)CCCCCC
Synonym	Poly[5,5 '-bis(2-butyloctyl)-(2,2 '-bithiophene)-4,4 '-dicarboxylate-alt-5,5 '-2,2 '- bithiophene]
InChI Key	WZMUYZASTRRKIK-UHFFFAOYNA-N
Molecular Formula	C42H56O4S4

ITIC, Thermo Scientific Chemicals

CAS: 1664293-06-4 Molecular Formula: C94H82N4O2S4 Molecular Weight (g/mol): 1427.96 InChI Key: HQOWCDPFDSRYRO-UHFFFAOYSA-N Synonym: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene IUPAC Name: 2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile SMILES: CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1

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Specifications

CAS	1664293-06-4
Molecular Weight (g/mol)	1427.96
SMILES	CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
Synonym	3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene
IUPAC Name	2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
InChI Key	HQOWCDPFDSRYRO-UHFFFAOYSA-N
Molecular Formula	C94H82N4O2S4

Pseudopelletierine, Thermo Scientific Chemicals

CAS: 552-70-5 Molecular Formula: C9H15NO Molecular Weight (g/mol): 153.23 InChI Key: RHWSKVCZXBAWLZ-UHFFFAOYNA-N IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one SMILES: CN1C2CCCC1CC(=O)C2

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Specifications

CAS	552-70-5
Molecular Weight (g/mol)	153.23
SMILES	CN1C2CCCC1CC(=O)C2
IUPAC Name	9-methyl-9-azabicyclo[3.3.1]nonan-3-one
InChI Key	RHWSKVCZXBAWLZ-UHFFFAOYNA-N
Molecular Formula	C9H15NO

Eplerenone, Thermo Scientific Chemicals

CAS: 107724-20-9 Molecular Formula: C24H30O6 Molecular Weight (g/mol): 414.50 InChI Key: JUKPWJGBANNWMW-VWBFHTRKSA-N IUPAC Name: methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadecan]-6'-ene-9'-carboxylate SMILES: COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13

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Specifications

CAS	107724-20-9
Molecular Weight (g/mol)	414.50
SMILES	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
IUPAC Name	methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadecan]-6'-ene-9'-carboxylate
InChI Key	JUKPWJGBANNWMW-VWBFHTRKSA-N
Molecular Formula	C24H30O6

Unclassified Organic Compounds

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