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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6-(Methylthio)pyridine-3-boronic acid, 95%, Thermo Scientific™

CAS: 321438-86-2 Molecular Formula: C6H8BNO2S Molecular Weight (g/mol): 169.005 MDL Number: MFCD03788238 InChI Key: UXWKVPJOPVIIRU-UHFFFAOYSA-N Synonym: 2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid PubChem CID: 2762705 IUPAC Name: (6-methylsulfanylpyridin-3-yl)boronic acid SMILES: B(C1=CN=C(C=C1)SC)(O)O

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PubChem CID	2762705
CAS	321438-86-2
Molecular Weight (g/mol)	169.005
MDL Number	MFCD03788238
SMILES	B(C1=CN=C(C=C1)SC)(O)O
Synonym	2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid
IUPAC Name	(6-methylsulfanylpyridin-3-yl)boronic acid
InChI Key	UXWKVPJOPVIIRU-UHFFFAOYSA-N
Molecular Formula	C6H8BNO2S

(Ethylthio)acetone, 95%

CAS: 20996-62-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00026976 InChI Key: ZKDXKBIOEVBFGV-UHFFFAOYSA-N PubChem CID: 88750 IUPAC Name: 1-ethylsulfanylpropan-2-one SMILES: CCSCC(=O)C

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PubChem CID	88750
CAS	20996-62-7
Molecular Weight (g/mol)	118.194
MDL Number	MFCD00026976
SMILES	CCSCC(=O)C
IUPAC Name	1-ethylsulfanylpropan-2-one
InChI Key	ZKDXKBIOEVBFGV-UHFFFAOYSA-N
Molecular Formula	C5H10OS

3-Methylthio-1-propanol, 98%

CAS: 505-10-2 Molecular Formula: C4H10OS Molecular Weight (g/mol): 106.18 MDL Number: MFCD00036560 InChI Key: CZUGFKJYCPYHHV-UHFFFAOYSA-N Synonym: methionol,3-methylthiopropanol,3-methylthio-1-propanol,3-hydroxypropyl methyl sulfide,3-methylthio propanol,3-methylmercapto-1-propanol,1-propanol, 3-methylthio,3-methylsulfanyl propan-1-ol,gamma-methylmercaptopropyl alcohol PubChem CID: 10448 ChEBI: CHEBI:49019 IUPAC Name: 3-methylsulfanylpropan-1-ol SMILES: CSCCCO

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PubChem CID	10448
CAS	505-10-2
Molecular Weight (g/mol)	106.18
ChEBI	CHEBI:49019
MDL Number	MFCD00036560
SMILES	CSCCCO
Synonym	methionol,3-methylthiopropanol,3-methylthio-1-propanol,3-hydroxypropyl methyl sulfide,3-methylthio propanol,3-methylmercapto-1-propanol,1-propanol, 3-methylthio,3-methylsulfanyl propan-1-ol,gamma-methylmercaptopropyl alcohol
IUPAC Name	3-methylsulfanylpropan-1-ol
InChI Key	CZUGFKJYCPYHHV-UHFFFAOYSA-N
Molecular Formula	C4H10OS

2,2'-Thiodiethanethiol, tech. 85%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.30 MDL Number: MFCD00004893 InChI Key: KSJBMDCFYZKAFH-UHFFFAOYSA-N Synonym: 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi PubChem CID: 77117 SMILES: SCCSCCS

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PubChem CID	77117
CAS	3570-55-6
Molecular Weight (g/mol)	154.30
MDL Number	MFCD00004893
SMILES	SCCSCCS
Synonym	2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi
InChI Key	KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula	C4H10S3

2-(Benzylthio)ethanol, 98%

CAS: 26524-88-9 Molecular Formula: C9H12OS Molecular Weight (g/mol): 168.254 MDL Number: MFCD00014039 InChI Key: ANMHSIXPUAKNLM-UHFFFAOYSA-N Synonym: 2-benzylthio ethanol,2-hydroxyethyl benzyl sulfide,2-benzylsulfanyl ethanol,2-hydroxyethyl-benzyl sulphide,2-benzylsulfanyl ethan-1-ol,2-phenylmethylthio ethanol,2-phenylmethylsulfanyl ethanol,2-phenylmethylthio ethan-1-ol,2-hydroxyethylbenzylsulfide,2-benzylthioethanol PubChem CID: 77486 IUPAC Name: 2-benzylsulfanylethanol SMILES: C1=CC=C(C=C1)CSCCO

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PubChem CID	77486
CAS	26524-88-9
Molecular Weight (g/mol)	168.254
MDL Number	MFCD00014039
SMILES	C1=CC=C(C=C1)CSCCO
Synonym	2-benzylthio ethanol,2-hydroxyethyl benzyl sulfide,2-benzylsulfanyl ethanol,2-hydroxyethyl-benzyl sulphide,2-benzylsulfanyl ethan-1-ol,2-phenylmethylthio ethanol,2-phenylmethylsulfanyl ethanol,2-phenylmethylthio ethan-1-ol,2-hydroxyethylbenzylsulfide,2-benzylthioethanol
IUPAC Name	2-benzylsulfanylethanol
InChI Key	ANMHSIXPUAKNLM-UHFFFAOYSA-N
Molecular Formula	C9H12OS

Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

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PubChem CID	81553
CAS	7133-37-1
Molecular Weight (g/mol)	130.25
MDL Number	MFCD00039460
SMILES	CSC1CCCCC1
Synonym	cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key	QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula	C7H14S

Diphenyl sulfide, 98%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	8766
CAS	139-66-2
Molecular Weight (g/mol)	186.27
ChEBI	CHEBI:38959
MDL Number	MFCD00003064
SMILES	S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name	phenylsulfanylbenzene
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S

Diethyl sulfide, 96%

CAS: 352-93-2 Molecular Formula: C4H10S Molecular Weight (g/mol): 90.18 MDL Number: MFCD00009270 InChI Key: LJSQFQKUNVCTIA-UHFFFAOYSA-N Synonym: diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis PubChem CID: 9609 ChEBI: CHEBI:27710 IUPAC Name: ethylsulfanylethane SMILES: CCSCC

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PubChem CID	9609
CAS	352-93-2
Molecular Weight (g/mol)	90.18
ChEBI	CHEBI:27710
MDL Number	MFCD00009270
SMILES	CCSCC
Synonym	diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis
IUPAC Name	ethylsulfanylethane
InChI Key	LJSQFQKUNVCTIA-UHFFFAOYSA-N
Molecular Formula	C4H10S

n-Dodecyl methyl sulfide, Thermo Scientific™

CAS: 3698-89-3 Molecular Formula: C13H28S Molecular Weight (g/mol): 216.43 MDL Number: MFCD00015073 InChI Key: KJWHJDGMOQJLGF-UHFFFAOYSA-N Synonym: dodecyl methyl sulfide,2-thiatetradecane,1-methylsulfanyl dodecane,methylthiododecane,methyl lauryl sulfide,dodecane, 1-methylthio,methyl n-dodecyl sulfide,dodecyl methyl sulphide,sulfide, dodecyl methyl,unii-77bo1dv08u PubChem CID: 77287 IUPAC Name: 1-methylsulfanyldodecane SMILES: CCCCCCCCCCCCSC

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PubChem CID	77287
CAS	3698-89-3
Molecular Weight (g/mol)	216.43
MDL Number	MFCD00015073
SMILES	CCCCCCCCCCCCSC
Synonym	dodecyl methyl sulfide,2-thiatetradecane,1-methylsulfanyl dodecane,methylthiododecane,methyl lauryl sulfide,dodecane, 1-methylthio,methyl n-dodecyl sulfide,dodecyl methyl sulphide,sulfide, dodecyl methyl,unii-77bo1dv08u
IUPAC Name	1-methylsulfanyldodecane
InChI Key	KJWHJDGMOQJLGF-UHFFFAOYSA-N
Molecular Formula	C13H28S

Ethyl methyl sulfide, 97%

CAS: 624-89-5 Molecular Formula: C3H8S Molecular Weight (g/mol): 76.16 MDL Number: MFCD00009268 InChI Key: WXEHBUMAEPOYKP-UHFFFAOYSA-N Synonym: ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane PubChem CID: 12230 IUPAC Name: methylsulfanylethane SMILES: CCSC

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PubChem CID	12230
CAS	624-89-5
Molecular Weight (g/mol)	76.16
MDL Number	MFCD00009268
SMILES	CCSC
Synonym	ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane
IUPAC Name	methylsulfanylethane
InChI Key	WXEHBUMAEPOYKP-UHFFFAOYSA-N
Molecular Formula	C3H8S

Di-n-propyl sulfide, 98+%

CAS: 111-47-7 Molecular Formula: C6H14S Molecular Weight (g/mol): 118.24 MDL Number: MFCD00009379 InChI Key: ZERULLAPCVRMCO-UHFFFAOYSA-N Synonym: propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane PubChem CID: 8118 IUPAC Name: 1-propylsulfanylpropane SMILES: CCCSCCC

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PubChem CID	8118
CAS	111-47-7
Molecular Weight (g/mol)	118.24
MDL Number	MFCD00009379
SMILES	CCCSCCC
Synonym	propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane
IUPAC Name	1-propylsulfanylpropane
InChI Key	ZERULLAPCVRMCO-UHFFFAOYSA-N
Molecular Formula	C6H14S

Bis(methylthio)methane, 99%

CAS: 1618-26-4 Molecular Formula: C3H8S2 Molecular Weight (g/mol): 108.217 MDL Number: MFCD00008564 InChI Key: LOCDPORVFVOGCR-UHFFFAOYSA-N Synonym: bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3 PubChem CID: 15380 IUPAC Name: bis(methylsulfanyl)methane SMILES: CSCSC

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PubChem CID	15380
CAS	1618-26-4
Molecular Weight (g/mol)	108.217
MDL Number	MFCD00008564
SMILES	CSCSC
Synonym	bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3
IUPAC Name	bis(methylsulfanyl)methane
InChI Key	LOCDPORVFVOGCR-UHFFFAOYSA-N
Molecular Formula	C3H8S2

Di-n-butyl sulfide, 98%

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 IUPAC Name: 1-butylsulfanylbutane 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
IUPAC Name	1-butylsulfanylbutane
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

(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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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

2-(Methylthio)thiophene, 97%

CAS: 5780-36-9 Molecular Formula: C5H6S2 Molecular Weight (g/mol): 130.223 MDL Number: MFCD00052382 InChI Key: ZLSMPEVZXWDWEK-UHFFFAOYSA-N PubChem CID: 79844 IUPAC Name: 2-methylsulfanylthiophene SMILES: CSC1=CC=CS1

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PubChem CID	79844
CAS	5780-36-9
Molecular Weight (g/mol)	130.223
MDL Number	MFCD00052382
SMILES	CSC1=CC=CS1
IUPAC Name	2-methylsulfanylthiophene
InChI Key	ZLSMPEVZXWDWEK-UHFFFAOYSA-N
Molecular Formula	C5H6S2

Thioethers

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