4-NITRO-3-(TRIFLUOROMETHYL)BENZENETHIOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4F3NO2S
Molecular Weight	223.172
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-NITRO-3-(TRIFLUOROMETHYL)BENZENETHIOL

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(S)C=C1C(F)(F)F

InChI

InChIKey=ANUSENKLRXGUHB-UHFFFAOYSA-N

InChI=1S/C7H4F3NO2S/c8-7(9,10)5-3-4(14)1-2-6(5)11(12)13/h1-3,14H

HIDE SMILES / InChI

Molecular Formula	C7H4F3NO2S
Molecular Weight	223.172
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 `Tue Apr 01 20:23:41 GMT 2025` Edited by `admin` on `Tue Apr 01 20:23:41 GMT 2025`
Record UNII	IL7N0ZLT0A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENETHIOL, 4-NITRO-3-(TRIFLUOROMETHYL)-

Preferred Name

English

4-NITRO-3-(TRIFLUOROMETHYL)BENZENETHIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

3016063

Created by admin on Tue Apr 01 20:23:41 GMT 2025 , Edited by admin on Tue Apr 01 20:23:41 GMT 2025

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ECHA (EC/EINECS)

254-370-5

Created by admin on Tue Apr 01 20:23:41 GMT 2025 , Edited by admin on Tue Apr 01 20:23:41 GMT 2025

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EPA CompTox

DTXSID40192493

Created by admin on Tue Apr 01 20:23:41 GMT 2025 , Edited by admin on Tue Apr 01 20:23:41 GMT 2025

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FDA UNII

IL7N0ZLT0A

Created by admin on Tue Apr 01 20:23:41 GMT 2025 , Edited by admin on Tue Apr 01 20:23:41 GMT 2025

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CAS

39234-82-7

Created by admin on Tue Apr 01 20:23:41 GMT 2025 , Edited by admin on Tue Apr 01 20:23:41 GMT 2025

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