2-Chlorobenzothiazole
TL;DR: 2-Chlorobenzothiazole (CAS 615-20-3) is a chemical compound with molecular formula C7H4ClNS and molecular weight 168.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-benzothiazole
Also Known As: 2-Chlorobenzothiazole, 2-Chloro-1,3-benzothiazole, 2-CHLOROBENZO[D]THIAZOLE, null, Fenclofenac
| Molecular Formula | C7H4ClNS |
|---|---|
| Molecular Weight | 168.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.9753 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 615-20-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)Cl |
| InChIKey | BSQLQMLFTHJVKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorobenzothiazole (CAS 615-20-3), with molecular formula C7H4ClNS and molecular weight 168.98 g/mol. IUPAC: 2-chloro-1,3-benzothiazole.
Chemical Property Profile of 2-Chlorobenzothiazole
Property Insights of 2-Chlorobenzothiazole
The XLogP value of 3.2 indicates that 2-Chlorobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Chlorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzothiazole 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 2-Chlorobenzothiazole?
The CAS number of 2-Chlorobenzothiazole is 615-20-3.
What is the molecular formula of 2-Chlorobenzothiazole?
The molecular formula of 2-Chlorobenzothiazole is C7H4ClNS.
What is the molecular weight of 2-Chlorobenzothiazole?
The molecular weight of 2-Chlorobenzothiazole is 168.98 g/mol.
Where can I buy 2-Chlorobenzothiazole?
You can request a quote for 2-Chlorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.