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

Details

Stereochemistry RACEMIC
Molecular Formula C12H24O4S
Molecular Weight 264.382
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIHYDROXYPROPYL 3-(HEXYLTHIO)PROPIONATE

SMILES

CCCCCCSCCC(=O)OCC(O)CO

InChI

InChIKey=SXNLGWZJZFAJAR-UHFFFAOYSA-N
InChI=1S/C12H24O4S/c1-2-3-4-5-7-17-8-6-12(15)16-10-11(14)9-13/h11,13-14H,2-10H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2,3-DIHYDROXYPROPYL 3-(HEXYLTHIO)PROPIONATE
Systematic Name English
PROPANOIC ACID, 3-(HEXYLTHIO)-, 2,3-DIHYDROXYPROPYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-403-3
Created by admin on Sat Dec 16 11:13:16 GMT 2023 , Edited by admin on Sat Dec 16 11:13:16 GMT 2023
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FDA UNII
59BE59JEZD
Created by admin on Sat Dec 16 11:13:16 GMT 2023 , Edited by admin on Sat Dec 16 11:13:16 GMT 2023
PRIMARY
CAS
67859-56-7
Created by admin on Sat Dec 16 11:13:16 GMT 2023 , Edited by admin on Sat Dec 16 11:13:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID8041325
Created by admin on Sat Dec 16 11:13:16 GMT 2023 , Edited by admin on Sat Dec 16 11:13:16 GMT 2023
PRIMARY
PUBCHEM
5362571
Created by admin on Sat Dec 16 11:13:16 GMT 2023 , Edited by admin on Sat Dec 16 11:13:16 GMT 2023
PRIMARY