2-[2-(2-Thienyl)ethyl]benzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12O2S
Molecular Weight	232.298
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[2-(2-Thienyl)ethyl]benzoic acid

Structure Search

SMILES

OC(=O)C1=C(CCC2=CC=CS2)C=CC=C1

InChI

InChIKey=BYSDXOIAAYZTBJ-UHFFFAOYSA-N

InChI=1S/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H12O2S
Molecular Weight	232.298
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 12:20:30 GMT 2023` Edited by `admin` on `Sat Dec 16 12:20:30 GMT 2023`
Record UNII	8R52DT6ELH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[2-(2-Thienyl)ethyl]benzoic acid

Systematic Name

English

Benzoic acid, 2-[2-(2-thienyl)ethyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

8R52DT6ELH

Created by admin on Sat Dec 16 12:20:30 GMT 2023 , Edited by admin on Sat Dec 16 12:20:30 GMT 2023

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EPA CompTox

DTXSID00167329

Created by admin on Sat Dec 16 12:20:30 GMT 2023 , Edited by admin on Sat Dec 16 12:20:30 GMT 2023

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ECHA (EC/EINECS)

216-595-7

Created by admin on Sat Dec 16 12:20:30 GMT 2023 , Edited by admin on Sat Dec 16 12:20:30 GMT 2023

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CAS

1622-54-4

Created by admin on Sat Dec 16 12:20:30 GMT 2023 , Edited by admin on Sat Dec 16 12:20:30 GMT 2023

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PUBCHEM

74186

Created by admin on Sat Dec 16 12:20:30 GMT 2023 , Edited by admin on Sat Dec 16 12:20:30 GMT 2023

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