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

Details

Stereochemistry RACEMIC
Molecular Formula C5H12OS
Molecular Weight 120.213
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-MERCAPTO-3-METHYL-2-BUTANOL, (R,R)-REL-

SMILES

C[C@@H](O)[C@@H](C)CS

InChI

InChIKey=BCYQZLULZVJEII-CRCLSJGQSA-N
InChI=1S/C5H12OS/c1-4(3-7)5(2)6/h4-7H,3H2,1-2H3/t4-,5+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-MERCAPTO-3-METHYL-2-BUTANOL, (R,R)-REL-
Systematic Name English
FEMA NO. 4698, (R,R)-REL-
Preferred Name English
2-BUTANOL, 4-MERCAPTO-3-METHYL-, (R*,R*)-
Systematic Name English
Code System Code Type Description
CAS
173948-59-9
Created by admin on Wed Apr 02 05:08:45 GMT 2025 , Edited by admin on Wed Apr 02 05:08:45 GMT 2025
PRIMARY
PUBCHEM
146048040
Created by admin on Wed Apr 02 05:08:45 GMT 2025 , Edited by admin on Wed Apr 02 05:08:45 GMT 2025
PRIMARY
FDA UNII
B2O85COI51
Created by admin on Wed Apr 02 05:08:45 GMT 2025 , Edited by admin on Wed Apr 02 05:08:45 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966