2-Chloro-4-methylbenzothiazole
TL;DR: 2-Chloro-4-methylbenzothiazole (CAS 3622-32-0) is a chemical compound with molecular formula C8H6ClNS and molecular weight 182.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-methyl-1,3-benzothiazole
Also Known As: 2-Chloro-4-methylbenzothiazole, 2-chloro-4-methyl-1,3-benzothiazole, 2-Chloro-4-methyl-benzothiozole, 2-Chloro-4-methyl-benzothiazole, 2-Chloro-4-methylbenzothiazol
| Molecular Formula | C8H6ClNS |
|---|---|
| Molecular Weight | 182.99 g/mol |
| LogP | 3.25812 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.99095 |
| Heavy Atoms | 11 |
| Complexity | 393.89142 |
Chemical Identifiers
| CAS Number | 3622-32-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)Cl |
Product Overview
2-Chloro-4-methylbenzothiazole (CAS 3622-32-0), with molecular formula C8H6ClNS and molecular weight 182.99 g/mol. IUPAC: 2-chloro-4-methyl-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-4-methylbenzothiazole
Property Insights of 2-Chloro-4-methylbenzothiazole
The XLogP value of 3.25812 indicates that 2-Chloro-4-methylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Chloro-4-methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-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
Frequently Asked Questions
What is the CAS number of 2-Chloro-4-methylbenzothiazole?
The CAS number of 2-Chloro-4-methylbenzothiazole is 3622-32-0.
What is the molecular formula of 2-Chloro-4-methylbenzothiazole?
The molecular formula of 2-Chloro-4-methylbenzothiazole is C8H6ClNS.
What is the molecular weight of 2-Chloro-4-methylbenzothiazole?
The molecular weight of 2-Chloro-4-methylbenzothiazole is 182.99 g/mol.
Where can I buy 2-Chloro-4-methylbenzothiazole?
You can request a quote for 2-Chloro-4-methylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-methylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.