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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2S2
Molecular Weight 180.288
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)PROPYL MERCAPTOACETATE

SMILES

CSCCCOC(=O)CS

InChI

InChIKey=CNFYMFGPHSETCO-UHFFFAOYSA-N
InChI=1S/C6H12O2S2/c1-10-4-2-3-8-6(7)5-9/h9H,2-5H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(METHYLTHIO)PROPYL MERCAPTOACETATE
Systematic Name English
FEMA NO. 4561
Preferred Name English
3-(METHYLSULFANYL)PROPYL SULFANYLACETATE ACETIC ACID, MERCAPTO-,3-(METHYLTHIO)PROPYL ESTER
Common Name English
ACETIC ACID, MERCAPTO-, 3-(METHYLTHIO)PROPYL ESTER
Common Name English
ACETIC ACID, 2-MERCAPTO-, 3-(METHYLTHIO)PROPYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50234499
Created by admin on Mon Mar 31 20:31:37 GMT 2025 , Edited by admin on Mon Mar 31 20:31:37 GMT 2025
PRIMARY
PUBCHEM
46779104
Created by admin on Mon Mar 31 20:31:37 GMT 2025 , Edited by admin on Mon Mar 31 20:31:37 GMT 2025
PRIMARY
JECFA MONOGRAPH
1892
Created by admin on Mon Mar 31 20:31:37 GMT 2025 , Edited by admin on Mon Mar 31 20:31:37 GMT 2025
PRIMARY
CAS
852997-30-9
Created by admin on Mon Mar 31 20:31:37 GMT 2025 , Edited by admin on Mon Mar 31 20:31:37 GMT 2025
PRIMARY
FDA UNII
3RI9Z9IR02
Created by admin on Mon Mar 31 20:31:37 GMT 2025 , Edited by admin on Mon Mar 31 20:31:37 GMT 2025
PRIMARY
NIH
NCATS
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