2-[(4-Nitrophenyl)thio]benzothiazole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H8N2O2S2
Molecular Weight	288.345
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[(4-Nitrophenyl)thio]benzothiazole

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(SC2=NC3=C(S2)C=CC=C3)C=C1

InChI

InChIKey=CFKYGISPRYOSCQ-UHFFFAOYSA-N

InChI=1S/C13H8N2O2S2/c16-15(17)9-5-7-10(8-6-9)18-13-14-11-3-1-2-4-12(11)19-13/h1-8H

HIDE SMILES / InChI

Molecular Formula	C13H8N2O2S2
Molecular Weight	288.345
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 20:25:02 GMT 2025` Edited by `admin` on `Tue Apr 01 20:25:02 GMT 2025`
Record UNII	992RV42BM9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzothiazole, 2-[(4-nitrophenyl)thio]-

Preferred Name

English

2-[(4-Nitrophenyl)thio]benzothiazole

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

243-012-3

Created by admin on Tue Apr 01 20:25:02 GMT 2025 , Edited by admin on Tue Apr 01 20:25:02 GMT 2025

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EPA CompTox

DTXSID60172999

Created by admin on Tue Apr 01 20:25:02 GMT 2025 , Edited by admin on Tue Apr 01 20:25:02 GMT 2025

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PUBCHEM

88033

Created by admin on Tue Apr 01 20:25:02 GMT 2025 , Edited by admin on Tue Apr 01 20:25:02 GMT 2025

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CAS

19387-54-3

Created by admin on Tue Apr 01 20:25:02 GMT 2025 , Edited by admin on Tue Apr 01 20:25:02 GMT 2025

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FDA UNII

992RV42BM9

Created by admin on Tue Apr 01 20:25:02 GMT 2025 , Edited by admin on Tue Apr 01 20:25:02 GMT 2025

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