BENZOTHIAZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NS
Molecular Weight	135.186
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZOTHIAZOLE

SMILES

S1C=NC2=C1C=CC=C2

InChI

InChIKey=IOJUPLGTWVMSFF-UHFFFAOYSA-N

InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5NS
Molecular Weight	135.186
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

Show entries

Title	Date	PubMed
Synthesis, in vitro and in vivo cytotoxicity, and prediction of the intestinal absorption of substituted 2-ethoxycarbonyl-imidazo[2,1-b]benzothiazoles.	2001 Oct	11576825
Spectroscopic study of 2-[2-(4-cyclaminophenyl)ethen-1-yl] benzothiazoles and their N-allylbenzothiazolium bromides. Solvent and substituent effects on their ultraviolet-visible and fluorescence spectra.	2002 Jan 15	11808740
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 Jun 6	12049796
Mining the NCI screening database: explorations of agents involved in cell cycle regulation.	2003	14593711
Glucose analog inhibitors of glycogen phosphorylases as potential antidiabetic agents: recent developments.	2003	12769745

Showing 1 to 5 of 12 entries

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Patents

Substance Class	Chemical
Record UNII	G5BW2593EP
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-8040

Preferred Name

English

BENZOTHIAZOLE

Systematic Name

English

FEMA NO. 3256

Code

English

1-THIA-3-AZAINDENE

Systematic Name

English

BENZOTHIAZOLE [HSDB]

Common Name

English

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Show entries

Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

BENZOTHIAZOLE

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

CAS

95-16-9

PRIMARY

PUBCHEM

7222

PRIMARY

EVMPD

SUB32860

PRIMARY

ECHA (EC/EINECS)

202-396-2

PRIMARY

NSC

8040

PRIMARY

Showing 1 to 5 of 13 entries

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