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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H12OS
Molecular Weight 120.213
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTO-3-METHYL-1-BUTANOL, (S)-

SMILES

CC(C)[C@H](S)CO

InChI

InChIKey=QBYYSQQYPUMFOX-RXMQYKEDSA-N
InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H12OS
Molecular Weight 120.213
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:03:17 GMT 2025
Edited
by admin
on Wed Apr 02 08:03:17 GMT 2025
Record UNII
RP99GC2ZB2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-MERCAPTO-3-METHYL-1-BUTANOL, (S)-
Systematic Name English
FEMA NO. 4894, S-
Preferred Name English
1-BUTANOL, 2-MERCAPTO-3-METHYL-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
2136295-90-2
Created by admin on Wed Apr 02 08:03:17 GMT 2025 , Edited by admin on Wed Apr 02 08:03:17 GMT 2025
PRIMARY
FDA UNII
RP99GC2ZB2
Created by admin on Wed Apr 02 08:03:17 GMT 2025 , Edited by admin on Wed Apr 02 08:03:17 GMT 2025
PRIMARY
PUBCHEM
92978932
Created by admin on Wed Apr 02 08:03:17 GMT 2025 , Edited by admin on Wed Apr 02 08:03:17 GMT 2025
PRIMARY