U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL 2-MERCAPTOPROPIONATE

SMILES

CCCOC(=O)C(C)S

InChI

InChIKey=SZNSBSIVODFXBS-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
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 00:09:44 UTC 2023
Edited
by admin
on Sat Dec 16 00:09:44 UTC 2023
Record UNII
A6API9I47Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL 2-MERCAPTOPROPIONATE
FHFI  
Systematic Name English
FEMA NO. 4207
Code English
PROPYL 2-MERCAPTOPROPIONATE [FHFI]
Common Name English
PROPYL 2-MERCAPTOPROPIONATE, (±)-
Systematic Name English
(±)-PROPYL 2-MERCAPTOPROPIONATE
Systematic Name English
PROPIONIC ACID, 2-MERCAPTO-, PROPYL ESTER
Common Name English
PROPANOIC ACID, 2-MERCAPTO-, PROPYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION PROPYL 2-MERCAPTOPROPIONATE
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID70941577
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
PRIMARY
FDA UNII
A6API9I47Z
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
PRIMARY
JECFA MONOGRAPH
1655
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
PRIMARY
CAS
19788-50-2
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
PRIMARY
PUBCHEM
22251515
Created by admin on Sat Dec 16 00:09:44 UTC 2023 , Edited by admin on Sat Dec 16 00:09:44 UTC 2023
PRIMARY