BENZOTHIAZOLONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NOS
Molecular Weight	151.186
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NC2=C(S1)C=CC=C2

InChI

InChIKey=YEDUAINPPJYDJZ-UHFFFAOYSA-N

InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C7H5NOS
Molecular Weight	151.186
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Initial transformations in the biodegradation of benzothiazoles by Rhodococcus isolates.	1998 Sep	9726870
Long-range (1)H-(15)N heteronuclear shift correlation at natural abundance: a tool to study benzothiazole biodegradation by two rhodococcus strains.	2001 Apr	11282584
2(3H)-benzoxazolone and bioisosters as "privileged scaffold" in the design of pharmacological probes.	2005	15853716
Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.	2005 Apr	15750776
Lipid-lowering properties of 6-benzoyl-2(3H)-benzothiazolone and structurally related compounds.	2005 Dec	16408788
In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.	2005 Mar 24	15771442
Unusual modification methods for the ureido ligand of lanthanocene derivatives.	2006 Mar 7	16482353
Synthesis and anticonvulsant activity of 5-chloro-2(3H)-benzoxazolinone-3-acetyl-2-(o/p-substituted benzal) hydrazone derivatives.	2008	19137903
Mercaptobenzothiazole allergenicity-role of the thiol group.	2008	18568896
2-(6-Benzoyl-2-oxo-1,3-benzothia-zol-3-yl)acetic acid.	2009 Dec 16	21580054
Mercaptobenzothiazole-on-gold organic phase biosensor systems: 1. Enhanced organosphosphate pesticide determination.	2009 Feb	19130375
Recent N-atom containing compounds from indo-pacific invertebrates.	2010 Nov 10	21139846
Synthesis, Characterization, and Biological Evaluation of certain 6-methyl-2(3H)-benzo-1, 3-thiazolyl-1'-ethylidene-2-(o, p- Substituted Acetophenones) Hydrazine Analogs.	2010 Oct	21264101

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:17:15 GMT 2023`
Record UNII	7T26K7NG46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOTHIAZOLONE

Systematic Name

English

2-OXOBENZOTHIAZOLE

Systematic Name

English

2-BENZOTHIAZOLOL

Systematic Name

English

NSC-7706

Code

English

3H-BENZOTHIAZOLE-2-ONE

Systematic Name

English

2-BENZOTHIAZOLINONE

Systematic Name

English

NSC-26422

Code

English

2(3H)-BENZOTHIAZOLONE

Systematic Name

English

1,3-BENZOTHIAZOL-2(3H)-ONE

Systematic Name

English

NSC-33823

Code

English

2-HYDROXYBENZOTHIAZOLE

Systematic Name

English

2-BENZOTHIAZOLONE

Systematic Name

English

Code System Code Type Description

CAS

934-34-9