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
Recent N-atom containing compounds from indo-pacific invertebrates.	2010-11-10	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.	2010-10	21264101
Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.	2010	20057105
2-(6-Benzoyl-2-oxo-1,3-benzothia-zol-3-yl)acetic acid.	2009-12-16	21580054
Which of three structures is AZD-3199? WO-2008104790, WO-2008096112 and WO-2008096119.	2009-08	19563269
Polymerase chain reaction-denaturing gradient gel electrophoresis analysis of microbial community structure in landfill leachate.	2009-05-30	18977596
Simultaneous determination of herbicide mefenacet and its metabolites residues in river water by solid phase extraction and rapid resolution liquid chromatography-mass spectrometry with pre-column derivatization.	2009-04-10	19223035
Mercaptobenzothiazole-on-gold organic phase biosensor systems: 1. Enhanced organosphosphate pesticide determination.	2009-02	19130375
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
Treatment of landfill leachate by electrochemical oxidation and anaerobic process.	2007-05	17571841
[Synthesis of heteroaromatic N-beta-glycosides of N-acetylglucosamine under the conditions of phase transfer catalysis: I. Glucosaminides of 2-oxobenzazoles].	2006-12-22	17180912
Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds.	2006-12-22	17168593
Chemical characteristics and origins of nitrogen-containing organic compounds in PM2.5 aerosols in the Lower Fraser Valley.	2006-10-01	17051769
Unusual modification methods for the ureido ligand of lanthanocene derivatives.	2006-03-07	16482353
Lipid-lowering properties of 6-benzoyl-2(3H)-benzothiazolone and structurally related compounds.	2005-12	16408788
Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.	2005-04	15750776
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.	2005-03-24	15771442
Dopamine D1/D5 receptor antagonists with improved pharmacokinetics: design, synthesis, and biological evaluation of phenol bioisosteric analogues of benzazepine D1/D5 antagonists.	2005-02-10	15689153
2(3H)-benzoxazolone and bioisosters as "privileged scaffold" in the design of pharmacological probes.	2005	15853716
Determination of benzothiazoles from complex aqueous samples by liquid chromatography-mass spectrometry following solid-phase extraction.	2004-11-26	15595654
Determination of ionization constants of N-imidazole derivatives, aromatase inhibitors, using capillary electrophoresis and influence of substituents on pKa shifts.	2004-04-30	15117082
Occurrence of benzothiazoles in municipal wastewater and their fate in biological treatment.	2004	15497849
Environmental impact of highway construction and repair materials on surface and ground waters. Case study: crumb rubber asphalt concrete.	2003	14522190
Metal ions as potential regulatory factors in the biosynthesis of red hair pigments: a new benzothiazole intermediate in the iron or copper assisted oxidation of 5-S-cysteinyldopa.	2002-06-06	12049796
Microbial transformations of 2-substituted benzothiazoles.	2001-12	11778869
Inhibition by viozan of extravasation induced in rat trachea by capsaicin is mediated exclusively by beta 2-adrenoceptors.	2001-12	11770013
Relaxant effects of some benzothiazolinone derivatives on isolated rabbit corpus cavernosum.	2001-06	11482443
Long-range (1)H-(15)N heteronuclear shift correlation at natural abundance: a tool to study benzothiazole biodegradation by two rhodococcus strains.	2001-04	11282584
Initial transformations in the biodegradation of benzothiazoles by Rhodococcus isolates.	1998-09	9726870

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:09:14 GMT 2025` Edited by `admin` on `Mon Mar 31 19:09:14 GMT 2025`
Record UNII	7T26K7NG46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOTHIAZOLONE

Systematic Name

English

NSC-26422

Preferred 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

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