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 3-HEXANETHIOL

SMILES

CCCC(S)CC

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
FEMA NO. 4782, 3-
Preferred Name English
3-HEXANETHIOL
Systematic Name English
3-MERCAPTOHEXANE
Systematic Name English
(±)-3-HEXANETHIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
102661
Created by admin on Wed Apr 02 00:42:34 GMT 2025 , Edited by admin on Wed Apr 02 00:42:34 GMT 2025
PRIMARY
FDA UNII
6YD4K9T3DN
Created by admin on Wed Apr 02 00:42:34 GMT 2025 , Edited by admin on Wed Apr 02 00:42:34 GMT 2025
PRIMARY
CAS
1633-90-5
Created by admin on Wed Apr 02 00:42:34 GMT 2025 , Edited by admin on Wed Apr 02 00:42:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-650-5
Created by admin on Wed Apr 02 00:42:34 GMT 2025 , Edited by admin on Wed Apr 02 00:42:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID80936813
Created by admin on Wed Apr 02 00:42:34 GMT 2025 , Edited by admin on Wed Apr 02 00:42:34 GMT 2025
PRIMARY