5-Chloro-1,2-benzisothiazolin-3-one
TL;DR: 5-Chloro-1,2-benzisothiazolin-3-one (CAS 4337-43-3) is a chemical compound with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,2-benzothiazol-3-one
Also Known As: 5-Chloro-1,2-benzisothiazol-3(2H)-one, 5-Chloro-1,2-benzisothiazolin-3-one, 5-chloro-1,2-benzothiazol-3-one, 5-Chloro-1,2-benzisothiazolone, 5-Chlorobenzo[d]isothiazol-3-ol
| Molecular Formula | C7H4ClNOS |
|---|---|
| Molecular Weight | 184.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.97021 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 4337-43-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)NS2 |
| InChIKey | IYFOEVOXKZUQPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1,2-benzisothiazolin-3-one (CAS 4337-43-3), with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol. IUPAC: 5-chloro-1,2-benzothiazol-3-one.
Chemical Property Profile of 5-Chloro-1,2-benzisothiazolin-3-one
Property Insights of 5-Chloro-1,2-benzisothiazolin-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,2-benzisothiazolin-3-one. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Chloro-1,2-benzisothiazolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,2-benzisothiazolin-3-one has 1 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-1,2-benzisothiazolin-3-one?
The CAS number of 5-Chloro-1,2-benzisothiazolin-3-one is 4337-43-3.
What is the molecular formula of 5-Chloro-1,2-benzisothiazolin-3-one?
The molecular formula of 5-Chloro-1,2-benzisothiazolin-3-one is C7H4ClNOS.
What is the molecular weight of 5-Chloro-1,2-benzisothiazolin-3-one?
The molecular weight of 5-Chloro-1,2-benzisothiazolin-3-one is 184.97 g/mol.
Where can I buy 5-Chloro-1,2-benzisothiazolin-3-one?
You can request a quote for 5-Chloro-1,2-benzisothiazolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,2-benzisothiazolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,2-benzisothiazolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.