5-ETHYL-2-THIOPHENECARBOXALDEHYDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8OS
Molecular Weight	140.203
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-ETHYL-2-THIOPHENECARBOXALDEHYDE

Structure Search

SMILES

CCC1=CC=C(S1)C=O

InChI

InChIKey=CLQXZICUPGZTPE-UHFFFAOYSA-N

InChI=1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H8OS
Molecular Weight	140.203
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
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005 Jun	15962942

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:57:35 GMT 2023` Edited by `admin` on `Sat Dec 16 09:57:35 GMT 2023`
Record UNII	8I907X809K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-ETHYL-2-THIOPHENECARBOXALDEHYDE

Systematic Name

English

5-ETHYLTHIOPHENE-2-CARBALDEHYDE

Systematic Name

English

2-THIOPHENECARBOXALDEHYDE, 5-ETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID2068004

Created by admin on Sat Dec 16 09:57:35 GMT 2023 , Edited by admin on Sat Dec 16 09:57:35 GMT 2023

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PUBCHEM

169830

Created by admin on Sat Dec 16 09:57:35 GMT 2023 , Edited by admin on Sat Dec 16 09:57:35 GMT 2023

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FDA UNII

8I907X809K

Created by admin on Sat Dec 16 09:57:35 GMT 2023 , Edited by admin on Sat Dec 16 09:57:35 GMT 2023

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ECHA (EC/EINECS)

253-252-0

Created by admin on Sat Dec 16 09:57:35 GMT 2023 , Edited by admin on Sat Dec 16 09:57:35 GMT 2023

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CAS

36880-33-8

Created by admin on Sat Dec 16 09:57:35 GMT 2023 , Edited by admin on Sat Dec 16 09:57:35 GMT 2023

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