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 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTO-3-METHYL-1-BUTANOL

SMILES

CC(C)C(S)CO

InChI

InChIKey=QBYYSQQYPUMFOX-UHFFFAOYSA-N
InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H12OS
Molecular Weight 120.213
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:56:53 GMT 2025
Edited
by admin
on Wed Apr 02 06:56:53 GMT 2025
Record UNII
ZBQ3H05T3L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4894
Preferred Name English
2-MERCAPTO-3-METHYL-1-BUTANOL
Systematic Name English
1-BUTANOL, 2-MERCAPTO-3-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
14249191
Created by admin on Wed Apr 02 06:56:53 GMT 2025 , Edited by admin on Wed Apr 02 06:56:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID80557966
Created by admin on Wed Apr 02 06:56:53 GMT 2025 , Edited by admin on Wed Apr 02 06:56:53 GMT 2025
PRIMARY
FDA UNII
ZBQ3H05T3L
Created by admin on Wed Apr 02 06:56:53 GMT 2025 , Edited by admin on Wed Apr 02 06:56:53 GMT 2025
PRIMARY
CAS
116229-37-9
Created by admin on Wed Apr 02 06:56:53 GMT 2025 , Edited by admin on Wed Apr 02 06:56:53 GMT 2025
PRIMARY