6-Chlorobenzothiazole
TL;DR: 6-Chlorobenzothiazole (CAS 2942-10-1) is a chemical compound with molecular formula C7H4ClNS and molecular weight 168.9753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-1,3-benzothiazole
Also Known As: 6-Chlorobenzo[d]thiazole, 6-Chlorobenzothiazole, 6-chloro-1,3-benzothiazole, 6-Chloro Benzothiazole, BENZOTHIAZOLE, 6-CHLORO-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNS |
| Molecular Weight | 168.9753 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.9753 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| SMILES | C1=CC2=C(C=C1Cl)SC=N2 |
| InChIKey | AIBQGOMAISTKSR-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chlorobenzothiazole
Property Insights of 6-Chlorobenzothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorobenzothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 6-Chlorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-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
What is the CAS number of 6-Chlorobenzothiazole?
The CAS number of 6-Chlorobenzothiazole is 2942-10-1.
What is the molecular formula of 6-Chlorobenzothiazole?
The molecular formula of 6-Chlorobenzothiazole is C7H4ClNS.
What is the molecular weight of 6-Chlorobenzothiazole?
The molecular weight of 6-Chlorobenzothiazole is 168.9753 g/mol.
Where can I buy 6-Chlorobenzothiazole?
You can request a quote for 6-Chlorobenzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chlorobenzothiazole?
Yes, CoreyChem provides custom synthesis services for 6-Chlorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.