Methyl 3-(phenylthio)propanoate

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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

Structure Search

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

Molecular Formula	C10H12O2S
Molecular Weight	196.266
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:24:29 GMT 2025` Edited by `admin` on `Tue Apr 01 16:24:29 GMT 2025`
Record UNII	W2QV4NNU2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 3-(phenylthio)propanoate

Systematic Name

English

METHYL 3-(PHENYLTHIO)PROPIONATE

Preferred Name

English

methyl 3-(phenylsulfanyl)propanoate

Systematic Name

English

Propanoic acid, 3-(phenylthio)-, methyl ester

Common Name

English

NSC-509557

Code

English

Methyl ?-phenylmercaptopropionate

Systematic Name

English

Code System Code Type Description

FDA UNII

W2QV4NNU2T

Created by admin on Tue Apr 01 16:24:29 GMT 2025 , Edited by admin on Tue Apr 01 16:24:29 GMT 2025

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PUBCHEM

350367

Created by admin on Tue Apr 01 16:24:29 GMT 2025 , Edited by admin on Tue Apr 01 16:24:29 GMT 2025

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CAS

22198-59-0

Created by admin on Tue Apr 01 16:24:29 GMT 2025 , Edited by admin on Tue Apr 01 16:24:29 GMT 2025

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EPA CompTox

DTXSID60944850

Created by admin on Tue Apr 01 16:24:29 GMT 2025 , Edited by admin on Tue Apr 01 16:24:29 GMT 2025

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NSC

509557

Created by admin on Tue Apr 01 16:24:29 GMT 2025 , Edited by admin on Tue Apr 01 16:24:29 GMT 2025

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