3-Chloro-1,2-benzisothiazole structure

3-Chloro-1,2-benzisothiazole

3-chloro-1,2-benzothiazole

Also Known As: 3-Chloro-1,2-benzisothiazole|3-chlorobenzo[d]isothiazole|3-chloro-1,2-benzothiazole|Hypromellose|3-CHLOROBENZISOTHIAZOLE|1,2-Benzisothiazole, 3-chloro-|3-Chloro-1,2-benzoisothiazole|Lurasidone Impurity 39|Lurasidone Impurity 55|Lurasidone Impurity 63|ACMC-1BDKO|3-Chloro-benzo[d]isothiazole|3-Chlorobenzo[d]isothia-zole|3-CHLOROBENZOISOTHIAZOLE|3-chloro-(1,2-benzisothiazole)|N-Methyl-N-(1-methylpropyl)amine|KS-000000EG|AC-224|AN-775|N,N-dimethyl-3-nitropyridin-2-amine|3-Chloro-1,2-benzisothiazole, 99%|CC-1906|CS-W016032

CAS: 9004-65-3
Molecular Formula C7H4ClNS
Molecular Weight 168.9753 g/mol
LogP 3.3
Topological Polar Surface Area 41.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 168.9753
Monoisotopic Mass 168.9753
Heavy Atoms 10
Complexity 131.0

Chemical Identifiers

CAS Number 9004-65-3
SMILES C1=CC=C2C(=C1)C(=NS2)Cl
InChIKey BCPVKLRBQLRWDQ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (4 patents) Catalysts (1 patents) Heterocyclic Building Blocks (238 patents) Organic Building Blocks (12 patents) Peptides & Amino Acids (2 patents) Pharmaceutical Intermediates (142 patents)

Product Overview

3-Chloro-1,2-benzisothiazole (CAS 9004-65-3), with molecular formula C7H4ClNS and molecular weight 168.9753 g/mol. IUPAC: 3-chloro-1,2-benzothiazole.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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