2,1,3-苯并噻二唑
TL;DR: 2,1,3-苯并噻二唑 (CAS 273-13-2) is a chemical compound with molecular formula C6H4N2S and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-苯并噻二唑
2,1,3-benzothiadiazole
Also Known As: 2,1,3-Benzothiadiazole, Piazthiole, Benzisothiadiazole, benzo[c][1,2,5]thiadiazole, Benzo[1,2,5]thiadiazole
| Molecular Formula | C6H4N2S |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.00952 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 273-13-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1 |
| InChIKey | PDQRQJVPEFGVRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1,3-苯并噻二唑 (CAS 273-13-2), with molecular formula C6H4N2S and molecular weight 136.01 g/mol. IUPAC: 2,1,3-benzothiadiazole.
Chemical Property Profile of 2,1,3-苯并噻二唑
Property Insights of 2,1,3-苯并噻二唑
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-苯并噻二唑. With a topological polar surface area (TPSA) of 54.0 Ų, 2,1,3-苯并噻二唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-苯并噻二唑 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 2,1,3-苯并噻二唑?
The CAS number of 2,1,3-苯并噻二唑 is 273-13-2.
What is the molecular formula of 2,1,3-苯并噻二唑?
The molecular formula of 2,1,3-苯并噻二唑 is C6H4N2S.
What is the molecular weight of 2,1,3-苯并噻二唑?
The molecular weight of 2,1,3-苯并噻二唑 is 136.01 g/mol.
Where can I buy 2,1,3-苯并噻二唑?
You can request a quote for 2,1,3-苯并噻二唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-苯并噻二唑?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-苯并噻二唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.