![5-Chlorobenzo[d]isothiazol-3-amine structure](/static/products/6950/69504-56-9.webp)
5-Chlorobenzo[d]isothiazol-3-amine
TL;DR: 5-Chlorobenzo[d]isothiazol-3-amine (CAS 69504-56-9) is a chemical compound with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,2-benzothiazol-3-amine
Also Known As: 5-chlorobenzo[d]isothiazol-3-amine, 5-Chloro-1,2-benzisothiazol-3-amine, 5-chloro-1,2-benzothiazol-3-amine, 1,2-Benzisothiazol-3-amine, 5-chloro-, 3-Amino-5-chloro-1,2-benzisothiazole
| Molecular Formula | C7H5ClN2S |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98619 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 69504-56-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=NS2)N |
| InChIKey | ITHFPAIBXKUVRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chlorobenzo[d]isothiazol-3-amine (CAS 69504-56-9), with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol. IUPAC: 5-chloro-1,2-benzothiazol-3-amine.
Chemical Property Profile of 5-Chlorobenzo[d]isothiazol-3-amine
Property Insights of 5-Chlorobenzo[d]isothiazol-3-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorobenzo[d]isothiazol-3-amine. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chlorobenzo[d]isothiazol-3-amine. Following Lipinski's Rule of Five, 5-Chlorobenzo[d]isothiazol-3-amine has 1 hydrogen bond donor(s) and 3 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-Chlorobenzo[d]isothiazol-3-amine?
The CAS number of 5-Chlorobenzo[d]isothiazol-3-amine is 69504-56-9.
What is the molecular formula of 5-Chlorobenzo[d]isothiazol-3-amine?
The molecular formula of 5-Chlorobenzo[d]isothiazol-3-amine is C7H5ClN2S.
What is the molecular weight of 5-Chlorobenzo[d]isothiazol-3-amine?
The molecular weight of 5-Chlorobenzo[d]isothiazol-3-amine is 183.99 g/mol.
Where can I buy 5-Chlorobenzo[d]isothiazol-3-amine?
You can request a quote for 5-Chlorobenzo[d]isothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorobenzo[d]isothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorobenzo[d]isothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.