PENTANEDIOIC ACID, 2-MERCAPTOETHYL METHYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14O4S
Molecular Weight	206.259
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTANEDIOIC ACID, 2-MERCAPTOETHYL METHYL ESTER

Structure Search

SMILES

COC(=O)CCCC(=O)OCCS

InChI

InChIKey=IRVQVEXKPWNYRJ-UHFFFAOYSA-N

InChI=1S/C8H14O4S/c1-11-7(9)3-2-4-8(10)12-5-6-13/h13H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H14O4S
Molecular Weight	206.259
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 `Sat Dec 16 12:26:18 GMT 2023` Edited by `admin` on `Sat Dec 16 12:26:18 GMT 2023`
Record UNII	XU9E3PX8FQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTANEDIOIC ACID, 2-MERCAPTOETHYL METHYL ESTER

Systematic Name

English

2-MERCAPTOETHYL METHYL GLUTARATE

Common Name

English

Code System Code Type Description

PUBCHEM

116945

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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FDA UNII

XU9E3PX8FQ

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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EPA CompTox

DTXSID2072203

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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CAS

70942-32-4

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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ECHA (EC/EINECS)

275-040-7

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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