5-Chloro-2,1,3-benzothiadiazole
TL;DR: 5-Chloro-2,1,3-benzothiadiazole (CAS 22180-90-1) is a chemical compound with molecular formula C6H3ClN2S and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,1,3-benzothiadiazole
Also Known As: 5-Chlorobenzo-2,1,3-thiadiazole, 5-Chloro-2,1,3-benzothiadiazole, 5-Chlorobenzo[c][1,2,5]thiadiazole, 2,1,3-Benzothiadiazole, 5-chloro-, Tizanidine impurity 23
| Molecular Formula | C6H3ClN2S |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.97055 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 22180-90-1 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1Cl |
| InChIKey | VRNJWKISMWDTAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2,1,3-benzothiadiazole (CAS 22180-90-1), with molecular formula C6H3ClN2S and molecular weight 169.97 g/mol. IUPAC: 5-chloro-2,1,3-benzothiadiazole.
Chemical Property Profile of 5-Chloro-2,1,3-benzothiadiazole
Property Insights of 5-Chloro-2,1,3-benzothiadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 5-Chloro-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2,1,3-benzothiadiazole has 0 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-Chloro-2,1,3-benzothiadiazole?
The CAS number of 5-Chloro-2,1,3-benzothiadiazole is 22180-90-1.
What is the molecular formula of 5-Chloro-2,1,3-benzothiadiazole?
The molecular formula of 5-Chloro-2,1,3-benzothiadiazole is C6H3ClN2S.
What is the molecular weight of 5-Chloro-2,1,3-benzothiadiazole?
The molecular weight of 5-Chloro-2,1,3-benzothiadiazole is 169.97 g/mol.
Where can I buy 5-Chloro-2,1,3-benzothiadiazole?
You can request a quote for 5-Chloro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.