U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2S
Molecular Weight 204.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-(HEXYLTHIO)PROPIONATE

SMILES

CCCCCCSCCC(=O)OC

InChI

InChIKey=WPTNLVDNPQJRAQ-UHFFFAOYSA-N
InChI=1S/C10H20O2S/c1-3-4-5-6-8-13-9-7-10(11)12-2/h3-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 3-(HEXYLTHIO)PROPIONATE
Systematic Name English
3-HEXYLSULFANYL-PROPIONIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-401-2
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
CAS
67859-54-5
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
PUBCHEM
105828
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
FDA UNII
L3XVS4FHY6
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070715
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY