1H,3H-2,1,3-苯并噻二唑2,2-二氧化物
TL;DR: 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 (CAS 1615-06-1) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H,3H-2,1,3-苯并噻二唑2,2-二氧化物
1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
Also Known As: 1,3-Btdzd, 1,3-dihydro-2, 2-Phenyl-3-nitropyridine, 1H,3H-2,1,3-Benzothiadiazole 2,2-dioxide, 1,3-Dihydro-2,1,3-benzothiadiazole 2,2-dioxide
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 1615-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NS(=O)(=O)N2 |
| InChIKey | AUAGRMVWKUSEBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 (CAS 1615-06-1), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide.
Chemical Property Profile of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物
Property Insights of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物. Following Lipinski's Rule of Five, 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 has 2 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 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物?
The CAS number of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 is 1615-06-1.
What is the molecular formula of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物?
The molecular formula of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 is C6H6N2O2S.
What is the molecular weight of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物?
The molecular weight of 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 is 170.01 g/mol.
Where can I buy 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物?
You can request a quote for 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 1H,3H-2,1,3-苯并噻二唑2,2-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.