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

Details

Stereochemistry RACEMIC
Molecular Formula C6H14S
Molecular Weight 118.24
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXANETHIOL

SMILES

CCCCC(C)S

InChI

InChIKey=ABNPJVOPTXYSQW-UHFFFAOYSA-N
InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
FEMA NO. 4782, 2-
Preferred Name English
2-HEXANETHIOL
Systematic Name English
(±)-2-HEXANETHIOL
Systematic Name English
2-HEXYLMERCAPTAN
Systematic Name English
Code System Code Type Description
CAS
1679-06-7
Created by admin on Wed Apr 02 00:15:27 GMT 2025 , Edited by admin on Wed Apr 02 00:15:27 GMT 2025
PRIMARY
FDA UNII
C99TVL98TD
Created by admin on Wed Apr 02 00:15:27 GMT 2025 , Edited by admin on Wed Apr 02 00:15:27 GMT 2025
PRIMARY
PUBCHEM
519310
Created by admin on Wed Apr 02 00:15:27 GMT 2025 , Edited by admin on Wed Apr 02 00:15:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID00333966
Created by admin on Wed Apr 02 00:15:27 GMT 2025 , Edited by admin on Wed Apr 02 00:15:27 GMT 2025
PRIMARY