5-Chloro-3-methyl-1,2-benzothiazole
TL;DR: 5-Chloro-3-methyl-1,2-benzothiazole (CAS 73437-05-5) 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.
5-chloro-3-methyl-1,2-benzothiazole
Also Known As: 5-chloro-3-methyl-1,2-benzothiazole, 5-chloro-3-methyl-1,2-benzisothiazole, 5-Chloro-3-methylbenzo[d]isothiazole, 1,2-Benzisothiazole, 5-chloro-3-methyl-, AA-516/30041006
| 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 | 73437-05-5 |
|---|---|
| SMILES | CC1=NSC2=C1C=C(C=C2)Cl |
Product Overview
5-Chloro-3-methyl-1,2-benzothiazole (CAS 73437-05-5), with molecular formula C8H6ClNS and molecular weight 182.99 g/mol. IUPAC: 5-chloro-3-methyl-1,2-benzothiazole.
Chemical Property Profile of 5-Chloro-3-methyl-1,2-benzothiazole
Property Insights of 5-Chloro-3-methyl-1,2-benzothiazole
The XLogP value of 3.25812 indicates that 5-Chloro-3-methyl-1,2-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 5-Chloro-3-methyl-1,2-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-1,2-benzothiazole 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 5-Chloro-3-methyl-1,2-benzothiazole?
The CAS number of 5-Chloro-3-methyl-1,2-benzothiazole is 73437-05-5.
What is the molecular formula of 5-Chloro-3-methyl-1,2-benzothiazole?
The molecular formula of 5-Chloro-3-methyl-1,2-benzothiazole is C8H6ClNS.
What is the molecular weight of 5-Chloro-3-methyl-1,2-benzothiazole?
The molecular weight of 5-Chloro-3-methyl-1,2-benzothiazole is 182.99 g/mol.
Where can I buy 5-Chloro-3-methyl-1,2-benzothiazole?
You can request a quote for 5-Chloro-3-methyl-1,2-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-1,2-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-1,2-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.