4-Chloro-3-methyl-1,2-benzisothiazole
TL;DR: 4-Chloro-3-methyl-1,2-benzisothiazole (CAS 75607-92-0) 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.
4-chloro-3-methyl-1,2-benzothiazole
Also Known As: 4-chloro-3-methyl-1,2-benzothiazole, 1,2-Benzisothiazole, 4-chloro-3-methyl-, 4-chloro-3-methyl-1,2-benzisothiazole, AA-516/31407046
| 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 | 75607-92-0 |
|---|---|
| SMILES | CC1=NSC2=C1C(=CC=C2)Cl |
Product Overview
4-Chloro-3-methyl-1,2-benzisothiazole (CAS 75607-92-0), with molecular formula C8H6ClNS and molecular weight 182.99 g/mol. IUPAC: 4-chloro-3-methyl-1,2-benzothiazole.
Chemical Property Profile of 4-Chloro-3-methyl-1,2-benzisothiazole
Property Insights of 4-Chloro-3-methyl-1,2-benzisothiazole
The XLogP value of 3.25812 indicates that 4-Chloro-3-methyl-1,2-benzisothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Chloro-3-methyl-1,2-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methyl-1,2-benzisothiazole 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 4-Chloro-3-methyl-1,2-benzisothiazole?
The CAS number of 4-Chloro-3-methyl-1,2-benzisothiazole is 75607-92-0.
What is the molecular formula of 4-Chloro-3-methyl-1,2-benzisothiazole?
The molecular formula of 4-Chloro-3-methyl-1,2-benzisothiazole is C8H6ClNS.
What is the molecular weight of 4-Chloro-3-methyl-1,2-benzisothiazole?
The molecular weight of 4-Chloro-3-methyl-1,2-benzisothiazole is 182.99 g/mol.
Where can I buy 4-Chloro-3-methyl-1,2-benzisothiazole?
You can request a quote for 4-Chloro-3-methyl-1,2-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methyl-1,2-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methyl-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.