4-Chloro-1,2-benzisothiazole
TL;DR: 4-Chloro-1,2-benzisothiazole (CAS 25380-61-4) 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.
4-chloro-1,2-benzothiazole
Also Known As: 4-Chlorobenzo[d]isothiazole, 4-Chloro-1,2-benzisothiazole, 4-chloro-1,2-benzothiazole, 4-chlorobenzisothiazole, 1,2-Benzisothiazole, 4-chloro-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNS |
| Molecular Weight | 168.9753 g/mol |
| XLogP | 2.9 |
| 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=NS2)C(=C1)Cl |
| InChIKey | DHLIRMWNYRKKPN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1,2-benzisothiazole
Property Insights of 4-Chloro-1,2-benzisothiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,2-benzisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 4-Chloro-1,2-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-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
What is the CAS number of 4-Chloro-1,2-benzisothiazole?
The CAS number of 4-Chloro-1,2-benzisothiazole is 25380-61-4.
What is the molecular formula of 4-Chloro-1,2-benzisothiazole?
The molecular formula of 4-Chloro-1,2-benzisothiazole is C7H4ClNS.
What is the molecular weight of 4-Chloro-1,2-benzisothiazole?
The molecular weight of 4-Chloro-1,2-benzisothiazole is 168.9753 g/mol.
Where can I buy 4-Chloro-1,2-benzisothiazole?
You can request a quote for 4-Chloro-1,2-benzisothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1,2-benzisothiazole?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.