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Details

Stereochemistry RACEMIC
Molecular Formula C5H10OS
Molecular Weight 118.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-2-PENTANONE

SMILES

CCC(S)C(C)=O

InChI

InChIKey=SZECUQRKLXRGSJ-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H10OS
Molecular Weight 118.197
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:40:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:40:52 GMT 2023
Record UNII
QI84S5GN0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-PENTANONE
FHFI  
Systematic Name English
3-MERCAPTOPENTAN-2-ONE
Systematic Name English
FEMA NO. 3300
Code English
3-MERCAPTO-2-PENTANONE [FHFI]
Common Name English
2-PENTANONE, 3-MERCAPTO-
Systematic Name English
(±)-3-MERCAPTO-2-PENTANONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTO-2-PENTANONE
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
Code System Code Type Description
FDA UNII
QI84S5GN0K
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-799-5
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
JECFA MONOGRAPH
142
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
CAS
67633-97-0
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID1047445
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
PUBCHEM
62237
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY