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Details

Stereochemistry RACEMIC
Molecular Formula C7H14OS
Molecular Weight 146.25
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-MERCAPTO-4-METHYL-2-HEXANONE

SMILES

CCC(C)(S)CC(C)=O

InChI

InChIKey=YMQSGAOXQWNUPQ-UHFFFAOYSA-N
InChI=1S/C7H14OS/c1-4-7(3,9)5-6(2)8/h9H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14OS
Molecular Weight 146.25
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 Sat Dec 16 00:09:56 GMT 2023
Edited
by admin
on Sat Dec 16 00:09:56 GMT 2023
Record UNII
78S0ASX1LS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-MERCAPTO-4-METHYL-2-HEXANONE
Systematic Name English
4-METHYL-4-SULFANYLHEXAN-2-ONE
Systematic Name English
2-HEXANONE, 4-MERCAPTO-4-METHYL-
Systematic Name English
(±)-4-MERCAPTO-4-METHYL-2-HEXANONE
Systematic Name English
4-MERCAPTO-4-METHYL-2-HEXANONE, (±)-
Systematic Name English
FEMA NO. 4583
Code English
4-MERCAPTO-4-METHYLHEXAN-2-ONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 4-MERCAPTO-4-METHYL-2-HEXANONE
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
Code System Code Type Description
CAS
851768-52-0
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
PRIMARY
PUBCHEM
11263567
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
1904
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
PRIMARY
FDA UNII
78S0ASX1LS
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID401005623
Created by admin on Sat Dec 16 00:09:56 GMT 2023 , Edited by admin on Sat Dec 16 00:09:56 GMT 2023
PRIMARY