![Benzo[c]isothiazole structure](/static/products/1001/10016-27-0.webp)
Benzo[c]isothiazole
TL;DR: Benzo[c]isothiazole (CAS 10016-27-0) 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.
2,1-benzothiazole
Also Known As: 2,1-benzisothiazole, benzo[c]isothiazole, 2,1-benzothiazole, Thioanthranil, isothiazolobenzene
| 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 | 10016-27-0 |
|---|---|
| SMILES | C1=CC2=CSN=C2C=C1 |
| InChIKey | JGQPSDIWMGNAPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[c]isothiazole (CAS 10016-27-0), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: 2,1-benzothiazole.
Chemical Property Profile of Benzo[c]isothiazole
Property Insights of Benzo[c]isothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[c]isothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, Benzo[c]isothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[c]isothiazole 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 Benzo[c]isothiazole?
The CAS number of Benzo[c]isothiazole is 10016-27-0.
What is the molecular formula of Benzo[c]isothiazole?
The molecular formula of Benzo[c]isothiazole is C7H5NS.
What is the molecular weight of Benzo[c]isothiazole?
The molecular weight of Benzo[c]isothiazole is 135.01 g/mol.
Where can I buy Benzo[c]isothiazole?
You can request a quote for Benzo[c]isothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[c]isothiazole?
Yes, KEHONG BIO provides custom synthesis services for Benzo[c]isothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.