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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H16OS
Molecular Weight 148.266
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHOXYHEXANE-3-THIOL, (R)-

SMILES

CCC[C@@H](S)CCOC

InChI

InChIKey=GTDLILFCRHJTRW-SSDOTTSWSA-N
InChI=1S/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-METHOXYHEXANE-3-THIOL, (R)-
Systematic Name English
3-HEXANETHIOL, 1-METHOXY-, (3R)-
Preferred Name English
Code System Code Type Description
FDA UNII
6PY63MS45P
Created by admin on Wed Apr 02 12:06:24 GMT 2025 , Edited by admin on Wed Apr 02 12:06:24 GMT 2025
PRIMARY
PUBCHEM
10866500
Created by admin on Wed Apr 02 12:06:24 GMT 2025 , Edited by admin on Wed Apr 02 12:06:24 GMT 2025
PRIMARY
CAS
449174-61-2
Created by admin on Wed Apr 02 12:06:24 GMT 2025 , Edited by admin on Wed Apr 02 12:06:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID701309121
Created by admin on Wed Apr 02 12:06:24 GMT 2025 , Edited by admin on Wed Apr 02 12:06:24 GMT 2025
PRIMARY