1,2-Benzisothiazolin-3-one

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Systematic / IUPAC Name: 1,2-Benzothiazol-3(2H)-one

ID: Reference998

Other Names: Benzisothiazolone;
1,2-Benzothiazol-3-one;
Benzo[d]isothiazol-3-one;
2,3-Dihydro-1,2-benzothiazol-3-one;
1,2-Benzoisothiazolin-3-one ; more

Formula: C7H5NOS

Class: Industrial Chemicals

Spectral Data

1,2-Benzisothiazolin-3-one 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; Q Exactive Orbitrap
No. of Spectral Trees 5
No. of Spectra 523
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 8/1/2014 12:05:08 PM
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Identificators

InChI InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChI Key DMSMPAJRVJJAGA-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=O)NS2
CAS 2634335
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Other Names Benzisothiazolone;
1,2-Benzothiazol-3-one;
Benzo[d]isothiazol-3-one;
2,3-Dihydro-1,2-benzothiazol-3-one;
1,2-Benzoisothiazolin-3-one;
1,2-Benzisothiazol-3-one;
Proxel

In Other Databases

ChemIDPlus 002634335
ChemSpider 16567
ChEMBL CHEMBL297304
HMDb HMDB34413
PubChem 17520
ChEBI CHEBI:167099
Wikipedia Benzisothiazolinone