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Details

Stereochemistry RACEMIC
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(METHYLTHIO)-2-PENTANONE

SMILES

CSC(C)CC(C)=O

InChI

InChIKey=PNJBGQMNUMZADU-UHFFFAOYSA-N
InChI=1S/C6H12OS/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12OS
Molecular Weight 132.224
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 Fri Dec 15 22:13:29 UTC 2023
Edited
by admin
on Fri Dec 15 22:13:29 UTC 2023
Record UNII
V3J5V0HD9K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(METHYLTHIO)-2-PENTANONE
FHFI  
Systematic Name English
2-PENTANONE, 4-(METHYLTHIO)-
Systematic Name English
FEMA NO. 4182
Code English
4-(METHYLTHIO)-2-PENTANONE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 4-(METHYLTHIO)-2-PENTANONE
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
Code System Code Type Description
JECFA MONOGRAPH
1676
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
PRIMARY
FDA UNII
V3J5V0HD9K
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
PRIMARY
PUBCHEM
6428938
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
PRIMARY
CAS
143764-28-7
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID70932086
Created by admin on Fri Dec 15 22:13:29 UTC 2023 , Edited by admin on Fri Dec 15 22:13:29 UTC 2023
PRIMARY