Benzisothiazole
TL;DR: Benzisothiazole (CAS 272-16-2) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-benzothiazole
Also Known As: Benzo[d]isothiazole, 1,2-BENZISOTHIAZOLE, 1,2-benzothiazole, benzisothiazole, benzisothiazol
| Molecular Formula | C7H5NS |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.01427 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 272-16-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NS2 |
| InChIKey | CSNIZNHTOVFARY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzisothiazole (CAS 272-16-2), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: 1,2-benzothiazole.
Chemical Property Profile of Benzisothiazole
Property Insights of Benzisothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, Benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzisothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzisothiazole?
The CAS number of Benzisothiazole is 272-16-2.
What is the molecular formula of Benzisothiazole?
The molecular formula of Benzisothiazole is C7H5NS.
What is the molecular weight of Benzisothiazole?
The molecular weight of Benzisothiazole is 135.01 g/mol.
Where can I buy Benzisothiazole?
You can request a quote for Benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for Benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.