Benzothiazole

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Systematic / IUPAC Name: 1,3-Benzothiazole

ID: Reference999

Other Names: Benzosulfonazole;
1-Thia-3-azaindene;
Benzo[d]thiazole;
Benzothiazol;
Vangard BT

Formula: C7H5NS

Class: Industrial Chemicals

Spectral Data

Benzothiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 47
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/11/2014 8:32:32 AM
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Identificators

InChI InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChI Key IOJUPLGTWVMSFF-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)N=CS2
CAS 95169
Splash
Other Names Benzosulfonazole;
1-Thia-3-azaindene;
Benzo[d]thiazole;
Benzothiazol;
Vangard BT

In Other Databases

ChEBI CHEBI:45993
ChemIDPlus 000095169; 031784857
HMDb HMDB32930
ChemSpider 6952
Wikipedia Benzothiazole
ChEMBL CHEMBL510309
PubChem 7222