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Details

Stereochemistry RACEMIC
Molecular Formula C4H10OS
Molecular Weight 106.187
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=MJQWABQELVFQJL-QWWZWVQMSA-N
InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C4H10OS
Molecular Weight 106.187
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:46 GMT 2023
Record UNII
E77Y53K9VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-BUTANOL, (2R,3R)-REL-
Systematic Name English
DL-THREO-3-MERCAPTOBUTAN-2-OL
Common Name English
2-BUTANOL, 3-MERCAPTO-, (2R,3R)-REL-
Systematic Name English
2-BUTANOL, 3-MERCAPTO-, (R*,R*)-
Systematic Name English
Code System Code Type Description
CAS
57504-28-6
Created by admin on Sat Dec 16 08:05:46 GMT 2023 , Edited by admin on Sat Dec 16 08:05:46 GMT 2023
PRIMARY
FDA UNII
E77Y53K9VM
Created by admin on Sat Dec 16 08:05:46 GMT 2023 , Edited by admin on Sat Dec 16 08:05:46 GMT 2023
PRIMARY
PUBCHEM
13095870
Created by admin on Sat Dec 16 08:05:46 GMT 2023 , Edited by admin on Sat Dec 16 08:05:46 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE