3-THIOPHENECARBOXYLIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H4O2S
Molecular Weight	128.149
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-THIOPHENECARBOXYLIC ACID

Structure Search

SMILES

OC(=O)C1=CSC=C1

InChI

InChIKey=YNVOMSDITJMNET-UHFFFAOYSA-N

InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

HIDE SMILES / InChI

Molecular Formula	C5H4O2S
Molecular Weight	128.149
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
Toward a magnetostructural correlation for a family of Mn6 SMMs.	2007 Oct 17	17887755
Synthesis and characterization of polyacetylene with side-chain thiophene functionality.	2008 Mar	19325756

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:03:19 GMT 2023` Edited by `admin` on `Sat Dec 16 02:03:19 GMT 2023`
Record UNII	6V3012Q6BE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-THIOPHENECARBOXYLIC ACID

Systematic Name

English

NSC-66314

Code

English

3-THIENYLCARBOXYLIC ACID

Systematic Name

English

3-CARBOXYTHIOPHENE

Systematic Name

English

.BETA.-THIOPHENIC ACID

Common Name

English

.BETA.-THIOPHENECARBOXYLIC ACID

Common Name

English

3-THENOIC ACID [MI]

Common Name

English

3-THENOIC ACID

Systematic Name

English

Code System Code Type Description

NSC

66314

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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MERCK INDEX

m10700

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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Merck Index

EPA CompTox

DTXSID40236745

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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CAS

88-13-1

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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ECHA (EC/EINECS)

201-802-5

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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FDA UNII

6V3012Q6BE

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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PUBCHEM

6918

Created by admin on Sat Dec 16 02:03:19 GMT 2023 , Edited by admin on Sat Dec 16 02:03:19 GMT 2023

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