S-METHYL THIOBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8OS
Molecular Weight	152.214
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-METHYL THIOBENZOATE

Structure Search

SMILES

CSC(=O)C1=CC=CC=C1

InChI

InChIKey=RQVWTMCUTHKGCM-UHFFFAOYSA-N

InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8OS
Molecular Weight	152.214
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
A SABATH Methyltransferase from the moss Physcomitrella patens catalyzes S-methylation of thiols and has a role in detoxification.	2012 Sep	22795762

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:51:48 GMT 2023` Edited by `admin` on `Fri Dec 15 19:51:48 GMT 2023`
Record UNII	TV2YT5FVUQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-METHYL THIOBENZOATE

Systematic Name

English

BENZOIC ACID, THIO-, S-METHYL ESTER

Common Name

English

METHANETHIOL, BENZOATE

Systematic Name

English

FEMA NO. 3857

Code

English

S-METHYL BENZENECARBOTHIOATE

Systematic Name

English

BENZENECARBOTHIOIC ACID, S-METHYL ESTER

Common Name

English

S-METHYL BENZOTHIOATE [FHFI]

Common Name

English

THIOBENZOIC ACID S-METHYL ESTER

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

S-METHYL BENZOTHIOATE

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

Code System Code Type Description

FDA UNII

TV2YT5FVUQ

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID20207978

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

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CAS

5925-68-8

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

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ECHA (EC/EINECS)

227-656-2

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

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PUBCHEM

80024

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

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JECFA MONOGRAPH

510

Created by admin on Fri Dec 15 19:51:48 GMT 2023 , Edited by admin on Fri Dec 15 19:51:48 GMT 2023

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