3-(PROPYLTHIO)PROPENE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12S
Molecular Weight	116.224
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(PROPYLTHIO)PROPENE

Structure Search

SMILES

CCCSCC=C

InChI

InChIKey=JMLIYQJQKZYHDQ-UHFFFAOYSA-N

InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3

HIDE SMILES / InChI

Molecular Formula	C6H12S
Molecular Weight	116.224
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Screening of organosulfur compounds as inhibitors of human CYP2A6.	2001 Jul	11408364

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:35:16 GMT 2023` Edited by `admin` on `Fri Dec 15 19:35:16 GMT 2023`
Record UNII	6038AN0CTJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(PROPYLTHIO)PROPENE

Systematic Name

English

NSC-164926

Code

English

Code System Code Type Description

PUBCHEM

98781

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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ECHA (EC/EINECS)

248-673-1

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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NSC

164926

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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CAS

27817-67-0

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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FDA UNII

6038AN0CTJ

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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EPA CompTox

DTXSID80182136

Created by admin on Fri Dec 15 19:35:16 GMT 2023 , Edited by admin on Fri Dec 15 19:35:16 GMT 2023

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