4-Chloro-2,1,3-benzothiadiazol-5-amine
TL;DR: 4-Chloro-2,1,3-benzothiadiazol-5-amine (CAS 30536-36-8) is a chemical compound with molecular formula C6H4ClN3S and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,1,3-benzothiadiazol-5-amine
Also Known As: 4-chloro-2,1,3-benzothiadiazol-5-amine, 4-Chlorobenzo[c][1,2,5]thiadiazol-5-amine, 4-Chloro-benzo[1,2,5]thiadiazol-5-ylamine, BAS 06612850, s12209
| Molecular Formula | C6H4ClN3S |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.98145 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 30536-36-8 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1N)Cl |
| InChIKey | RAFNDUBDHJMEDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,1,3-benzothiadiazol-5-amine (CAS 30536-36-8), with molecular formula C6H4ClN3S and molecular weight 184.98 g/mol. IUPAC: 4-chloro-2,1,3-benzothiadiazol-5-amine.
Chemical Property Profile of 4-Chloro-2,1,3-benzothiadiazol-5-amine
Property Insights of 4-Chloro-2,1,3-benzothiadiazol-5-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,1,3-benzothiadiazol-5-amine. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,1,3-benzothiadiazol-5-amine. Following Lipinski's Rule of Five, 4-Chloro-2,1,3-benzothiadiazol-5-amine has 1 hydrogen bond donor(s) and 4 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-2,1,3-benzothiadiazol-5-amine?
The CAS number of 4-Chloro-2,1,3-benzothiadiazol-5-amine is 30536-36-8.
What is the molecular formula of 4-Chloro-2,1,3-benzothiadiazol-5-amine?
The molecular formula of 4-Chloro-2,1,3-benzothiadiazol-5-amine is C6H4ClN3S.
What is the molecular weight of 4-Chloro-2,1,3-benzothiadiazol-5-amine?
The molecular weight of 4-Chloro-2,1,3-benzothiadiazol-5-amine is 184.98 g/mol.
Where can I buy 4-Chloro-2,1,3-benzothiadiazol-5-amine?
You can request a quote for 4-Chloro-2,1,3-benzothiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,1,3-benzothiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,1,3-benzothiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.