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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2S
Molecular Weight 196.266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(phenylthio)propanoate

SMILES

COC(=O)CCSC1=CC=CC=C1

InChI

InChIKey=QWFLXSYICHFNBN-UHFFFAOYSA-N
InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Methyl 3-(phenylthio)propanoate
Systematic Name English
methyl 3-(phenylsulfanyl)propanoate
Systematic Name English
Propanoic acid, 3-(phenylthio)-, methyl ester
Common Name English
NSC-509557
Code English
Methyl β-phenylmercaptopropionate
Systematic Name English
METHYL 3-(PHENYLTHIO)PROPIONATE
Systematic Name English
Code System Code Type Description
FDA UNII
W2QV4NNU2T
Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023
PRIMARY
PUBCHEM
350367
Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023
PRIMARY
CAS
22198-59-0
Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID60944850
Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023
PRIMARY
NSC
509557
Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023
PRIMARY
NIH
NCATS
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