Methyl 4-oxotetrahydrothiophene-3-carboxylate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H8O3S
Molecular Weight	160.191
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-oxotetrahydrothiophene-3-carboxylate

Structure Search

SMILES

COC(=O)C1CSCC1=O

InChI

InChIKey=LEAKUJFYXNILRB-UHFFFAOYSA-N

InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H8O3S
Molecular Weight	160.191
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:14:28 GMT 2025` Edited by `admin` on `Wed Apr 02 19:14:28 GMT 2025`
Record UNII	WEE9GZ2W2C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-127560

Preferred Name

English

Methyl 4-oxotetrahydrothiophene-3-carboxylate

Systematic Name

English

3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester

Systematic Name

English

4-Carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone

Systematic Name

English

Code System Code Type Description

FDA UNII

WEE9GZ2W2C

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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ECHA (EC/EINECS)

220-256-9

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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PUBCHEM

98424

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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EPA CompTox

DTXSID40863010

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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NSC

127560

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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CAS

2689-68-1

Created by admin on Wed Apr 02 19:14:28 GMT 2025 , Edited by admin on Wed Apr 02 19:14:28 GMT 2025

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