Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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n-Butyl sulfide, 99%, pure

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 SMILES: CCCCSCCCC

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PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Dimethyl sulfide, 99+%

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 SMILES: CSC

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

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PubChem CID	78925
CAS	5271-38-5
Molecular Weight (g/mol)	92.16
ChEBI	CHEBI:63861
MDL Number	MFCD00002908
SMILES	CSCCO
Synonym	2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name	2-methylsulfanylethanol
InChI Key	WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula	C3H8OS

PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
IUPAC Name	1-butylsulfanylbutane
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Ethyl (methylthio)acetate, 98%

CAS: 4455-13-4 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.193 MDL Number: MFCD00009182 InChI Key: MDIAKIHKBBNYHF-UHFFFAOYSA-N Synonym: ethyl methylthio acetate,ethyl 2-methylthio acetate,acetic acid, methylthio-, ethyl ester,ethyl 2-methylthio-acetate,ethyl 2-methylsulfanyl acetate,unii-6148qqn25t,ethyl alpha-methylthio acetate,methylthio acetic acid ethyl ester,ethyl .alpha. methylthio acetate,methylsulfanyl-acetic acid ethyl ester PubChem CID: 78199 IUPAC Name: ethyl 2-methylsulfanylacetate SMILES: CCOC(=O)CSC

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PubChem CID	78199
CAS	4455-13-4
Molecular Weight (g/mol)	134.193
MDL Number	MFCD00009182
SMILES	CCOC(=O)CSC
Synonym	ethyl methylthio acetate,ethyl 2-methylthio acetate,acetic acid, methylthio-, ethyl ester,ethyl 2-methylthio-acetate,ethyl 2-methylsulfanyl acetate,unii-6148qqn25t,ethyl alpha-methylthio acetate,methylthio acetic acid ethyl ester,ethyl .alpha. methylthio acetate,methylsulfanyl-acetic acid ethyl ester
IUPAC Name	ethyl 2-methylsulfanylacetate
InChI Key	MDIAKIHKBBNYHF-UHFFFAOYSA-N
Molecular Formula	C5H10O2S

3-(Phenylthio)thiophene, 97%

CAS: 16718-11-9 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052043 InChI Key: WQYNBKIZHCGYCV-UHFFFAOYSA-N Synonym: 3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide PubChem CID: 2778902 IUPAC Name: 3-phenylsulfanylthiophene SMILES: S(C1=CSC=C1)C1=CC=CC=C1

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PubChem CID	2778902
CAS	16718-11-9
Molecular Weight (g/mol)	192.29
MDL Number	MFCD00052043
SMILES	S(C1=CSC=C1)C1=CC=CC=C1
Synonym	3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide
IUPAC Name	3-phenylsulfanylthiophene
InChI Key	WQYNBKIZHCGYCV-UHFFFAOYSA-N
Molecular Formula	C10H8S2

Di-n-hexyl sulfide, 97%

CAS: 6294-31-1 Molecular Formula: C12H26S Molecular Weight (g/mol): 202.40 MDL Number: MFCD00009528 InChI Key: LHNRHYOMDUJLLM-UHFFFAOYSA-N Synonym: hexyl sulfide,hexane, 1,1'-thiobis,dihexyl sulfide,di-n-hexyl sulfide,7-thiatridecane,dihexyl sulphide,n-hexyl sulfide,di-n-hexylsulfide,hexylthiohexane,normal-hexyl sulfide PubChem CID: 80517 IUPAC Name: 1-hexylsulfanylhexane SMILES: CCCCCCSCCCCCC

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PubChem CID	80517
CAS	6294-31-1
Molecular Weight (g/mol)	202.40
MDL Number	MFCD00009528
SMILES	CCCCCCSCCCCCC
Synonym	hexyl sulfide,hexane, 1,1'-thiobis,dihexyl sulfide,di-n-hexyl sulfide,7-thiatridecane,dihexyl sulphide,n-hexyl sulfide,di-n-hexylsulfide,hexylthiohexane,normal-hexyl sulfide
IUPAC Name	1-hexylsulfanylhexane
InChI Key	LHNRHYOMDUJLLM-UHFFFAOYSA-N
Molecular Formula	C12H26S

2-(Phenylthio)thiophene, 97+%

CAS: 16718-12-0 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052141 InChI Key: JQTBWKNYWACCRU-UHFFFAOYSA-N PubChem CID: 2778915 IUPAC Name: 2-phenylsulfanylthiophene SMILES: S(C1=CC=CS1)C1=CC=CC=C1

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Specifications

PubChem CID	2778915
CAS	16718-12-0
Molecular Weight (g/mol)	192.29
MDL Number	MFCD00052141
SMILES	S(C1=CC=CS1)C1=CC=CC=C1
IUPAC Name	2-phenylsulfanylthiophene
InChI Key	JQTBWKNYWACCRU-UHFFFAOYSA-N
Molecular Formula	C10H8S2

3-(4-Fluorophenyl)-5-(methylthio)-1H-pyrazole, 97%, Thermo Scientific™

CAS: 175137-20-9 Molecular Formula: C10H9FN2S Molecular Weight (g/mol): 208.25 MDL Number: MFCD00052075 InChI Key: ZDFTZMJWTJLPRE-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl-5-methylthio pyrazole,3-4-fluorophenyl-5-methylthio-1h-pyrazole,3-4-fluorophenyl-5-methylsulfanyl-1h-pyrazole,5-4-fluorophenyl-3-methylsulfanyl-1h-pyrazole,3-4-fluorophenyl-5-methylthiopyrazole,maybridge1_003702,5-4-fluorophenyl-3-methylthio-1h-pyrazole,3-4-fluoro-phenyl-5-methylsulfanyl-1h-pyrazole,3-4-fluorophenyl-5-methylsulfanyl-2h-pyrazole PubChem CID: 2737479 SMILES: CSC1=NNC(=C1)C1=CC=C(F)C=C1

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PubChem CID	2737479
CAS	175137-20-9
Molecular Weight (g/mol)	208.25
MDL Number	MFCD00052075
SMILES	CSC1=NNC(=C1)C1=CC=C(F)C=C1
Synonym	3-4-fluorophenyl-5-methylthio pyrazole,3-4-fluorophenyl-5-methylthio-1h-pyrazole,3-4-fluorophenyl-5-methylsulfanyl-1h-pyrazole,5-4-fluorophenyl-3-methylsulfanyl-1h-pyrazole,3-4-fluorophenyl-5-methylthiopyrazole,maybridge1_003702,5-4-fluorophenyl-3-methylthio-1h-pyrazole,3-4-fluoro-phenyl-5-methylsulfanyl-1h-pyrazole,3-4-fluorophenyl-5-methylsulfanyl-2h-pyrazole
InChI Key	ZDFTZMJWTJLPRE-UHFFFAOYSA-N
Molecular Formula	C10H9FN2S

2-(Methylthio)ethylamine, Thermo Scientific™

CAS: 18542-42-2 Molecular Formula: C3H9NS Molecular Weight (g/mol): 91.172 MDL Number: MFCD00014825 InChI Key: CYWGSFFHHMQKET-UHFFFAOYSA-N Synonym: 2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine PubChem CID: 87697 IUPAC Name: 2-methylsulfanylethanamine SMILES: CSCCN

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PubChem CID	87697
CAS	18542-42-2
Molecular Weight (g/mol)	91.172
MDL Number	MFCD00014825
SMILES	CSCCN
Synonym	2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine
IUPAC Name	2-methylsulfanylethanamine
InChI Key	CYWGSFFHHMQKET-UHFFFAOYSA-N
Molecular Formula	C3H9NS

5-Amino-2-(methylthio)pyrimidine, 96%, Thermo Scientific™

CAS: 42382-46-7 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.19 MDL Number: MFCD10697095 InChI Key: NRJNAXLXHFQYEX-UHFFFAOYSA-N Synonym: 5-amino-2-methylthio pyrimidine,2-methylthio pyrimidin-5-amine,2-methylsulfanyl pyrimidin-5-amine,2-methylmercapto-5-aminopyrimidine,5-pyrimidinamine,2-methylthio,2-methylsulfanylpyrimidin-5-ylamine,2-methylsulfanyl-5-pyrimidinamine,2-methylthio-5-pyrimidinamine,5-pyrimidinamine, 2-methylthio,5-pyrimidinamine, 2-methylthio-9ci PubChem CID: 12215991 IUPAC Name: 2-methylsulfanylpyrimidin-5-amine SMILES: CSC1=NC=C(N)C=N1

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Specifications

PubChem CID	12215991
CAS	42382-46-7
Molecular Weight (g/mol)	141.19
MDL Number	MFCD10697095
SMILES	CSC1=NC=C(N)C=N1
Synonym	5-amino-2-methylthio pyrimidine,2-methylthio pyrimidin-5-amine,2-methylsulfanyl pyrimidin-5-amine,2-methylmercapto-5-aminopyrimidine,5-pyrimidinamine,2-methylthio,2-methylsulfanylpyrimidin-5-ylamine,2-methylsulfanyl-5-pyrimidinamine,2-methylthio-5-pyrimidinamine,5-pyrimidinamine, 2-methylthio,5-pyrimidinamine, 2-methylthio-9ci
IUPAC Name	2-methylsulfanylpyrimidin-5-amine
InChI Key	NRJNAXLXHFQYEX-UHFFFAOYSA-N
Molecular Formula	C5H7N3S

(2-Benzimidazolylthio)acetic acid, 98%

CAS: 3042-00-0 Molecular Formula: C9H7N2O2S Molecular Weight (g/mol): 207.23 MDL Number: MFCD00022673 InChI Key: UYNVBLJQBCTRKV-UHFFFAOYSA-M Synonym: 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid PubChem CID: 137805 IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid SMILES: [O-]C(=O)CSC1=NC2=CC=CC=C2N1

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Specifications

PubChem CID	137805
CAS	3042-00-0
Molecular Weight (g/mol)	207.23
MDL Number	MFCD00022673
SMILES	[O-]C(=O)CSC1=NC2=CC=CC=C2N1
Synonym	2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid
IUPAC Name	2-(1H-benzimidazol-2-ylsulfanyl)acetic acid
InChI Key	UYNVBLJQBCTRKV-UHFFFAOYSA-M
Molecular Formula	C9H7N2O2S

4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 128453-98-5 Molecular Formula: C10H17NO4S Molecular Weight (g/mol): 247.309 MDL Number: MFCD02683067 InChI Key: CTDIKDIZNAGMFK-UHFFFAOYSA-N Synonym: 4-tert-butoxycarbonyl thiomorpholine-3-carboxylic acid,4-boc-thiomorpholine-3-carboxylic acid,n-boc-3-thiomorpholinecarboxylic acid,thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester,4-tert-butoxy carbonyl thiomorpholine-3-carboxylic acid,3,4-thiomorpholinedicarboxylicacid, 4-1,1-dimethylethyl ester,acmc-20dpph,acmc-1bvvh,+/--thiomorpholine-3,4-dicarboxylicacid4-tert-butylester,n-boc-3-thiomorpholinecarboxylicacid PubChem CID: 2756831 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCSCC1C(=O)O

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Specifications

PubChem CID	2756831
CAS	128453-98-5
Molecular Weight (g/mol)	247.309
MDL Number	MFCD02683067
SMILES	CC(C)(C)OC(=O)N1CCSCC1C(=O)O
Synonym	4-tert-butoxycarbonyl thiomorpholine-3-carboxylic acid,4-boc-thiomorpholine-3-carboxylic acid,n-boc-3-thiomorpholinecarboxylic acid,thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester,4-tert-butoxy carbonyl thiomorpholine-3-carboxylic acid,3,4-thiomorpholinedicarboxylicacid, 4-1,1-dimethylethyl ester,acmc-20dpph,acmc-1bvvh,+/--thiomorpholine-3,4-dicarboxylicacid4-tert-butylester,n-boc-3-thiomorpholinecarboxylicacid
IUPAC Name	4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
InChI Key	CTDIKDIZNAGMFK-UHFFFAOYSA-N
Molecular Formula	C10H17NO4S

2-[(4-Chlorophenyl)thio]benzaldehyde, 95%, Thermo Scientific™

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4-(Methylthio)imidazole, 97%

CAS: 83553-60-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.166 MDL Number: MFCD03844702 InChI Key: NLIJIXLRIYPOHM-UHFFFAOYSA-N Synonym: 4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio PubChem CID: 13084405 IUPAC Name: 5-methylsulfanyl-1H-imidazole SMILES: CSC1=CN=CN1

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Specifications

PubChem CID	13084405
CAS	83553-60-0
Molecular Weight (g/mol)	114.166
MDL Number	MFCD03844702
SMILES	CSC1=CN=CN1
Synonym	4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio
IUPAC Name	5-methylsulfanyl-1H-imidazole
InChI Key	NLIJIXLRIYPOHM-UHFFFAOYSA-N
Molecular Formula	C4H6N2S

Thioethers

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