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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,3S)-REL-

SMILES

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

InChI

InChIKey=MJQWABQELVFQJL-IUYQGCFVSA-N
InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m0/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 Fri Dec 15 18:33:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:33:56 GMT 2023
Record UNII
82S57584XS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-BUTANOL, (2R,3S)-REL-
Common Name English
2-BUTANOL, 3-MERCAPTO-, (2R,3S)-REL-
Systematic Name English
2-BUTANOL, 3-MERCAPTO-, (R*,S*)-
Systematic Name English
FEMA NO. 3502
Code English
Code System Code Type Description
FDA UNII
82S57584XS
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-701-0
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
CAS
37887-04-0
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
139
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID401301916
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
PUBCHEM
13095872
Created by admin on Fri Dec 15 18:33:56 GMT 2023 , Edited by admin on Fri Dec 15 18:33:56 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE