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

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

Approval Year

PubMed

PubMed

TitleDatePubMed
Screening of organosulfur compounds as inhibitors of human CYP2A6.
2001 Jul
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY