5-Chloro-2-methylbenzothiazole
TL;DR: 5-Chloro-2-methylbenzothiazole (CAS 1006-99-1) is a chemical compound with molecular formula C8H6ClNS and molecular weight 182.99095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-methyl-1,3-benzothiazole
Also Known As: 5-Chloro-2-methylbenzothiazole, 5-chloro-2-methylbenzo[d]thiazole, 5-Chloro-2-methyl-1,3-benzothiazole, 2-methyl-5-chlorobenzothiazole, BENZOTHIAZOLE, 5-CHLORO-2-METHYL-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 182.99095 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.99095 Da |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| SMILES | CC1=NC2=C(S1)C=CC(=C2)Cl |
| InChIKey | XCALAYIRFYALSX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-methylbenzothiazole
Property Insights of 5-Chloro-2-methylbenzothiazole
The XLogP value of 3.4 indicates that 5-Chloro-2-methylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 5-Chloro-2-methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylbenzothiazole 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 5-Chloro-2-methylbenzothiazole?
The CAS number of 5-Chloro-2-methylbenzothiazole is 1006-99-1.
What is the molecular formula of 5-Chloro-2-methylbenzothiazole?
The molecular formula of 5-Chloro-2-methylbenzothiazole is C8H6ClNS.
What is the molecular weight of 5-Chloro-2-methylbenzothiazole?
The molecular weight of 5-Chloro-2-methylbenzothiazole is 182.99095 g/mol.
Where can I buy 5-Chloro-2-methylbenzothiazole?
You can request a quote for 5-Chloro-2-methylbenzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-methylbenzothiazole?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.