5-Ethoxy-2,1,3-benzothiadiazole
TL;DR: 5-Ethoxy-2,1,3-benzothiadiazole (CAS 1753-21-5) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-2,1,3-benzothiadiazole
Also Known As: 5-ethoxy-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole, 5-ethoxy-, 2,1,3-benzothiadiazole,5-ethoxy-, 5-ethoxybenzo[c]1,2,5-thiadiazole, 5-Ethoxybenzo[c][1,2,5]thiadiazole
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 385.19324 |
Chemical Identifiers
| CAS Number | 1753-21-5 |
|---|---|
| SMILES | CCOC1=CC2=NSN=C2C=C1 |
Product Overview
5-Ethoxy-2,1,3-benzothiadiazole (CAS 1753-21-5), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 5-ethoxy-2,1,3-benzothiadiazole.
Chemical Property Profile of 5-Ethoxy-2,1,3-benzothiadiazole
Property Insights of 5-Ethoxy-2,1,3-benzothiadiazole
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethoxy-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 35.01 Ų, 5-Ethoxy-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethoxy-2,1,3-benzothiadiazole has 0 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 5-Ethoxy-2,1,3-benzothiadiazole?
The CAS number of 5-Ethoxy-2,1,3-benzothiadiazole is 1753-21-5.
What is the molecular formula of 5-Ethoxy-2,1,3-benzothiadiazole?
The molecular formula of 5-Ethoxy-2,1,3-benzothiadiazole is C8H8N2OS.
What is the molecular weight of 5-Ethoxy-2,1,3-benzothiadiazole?
The molecular weight of 5-Ethoxy-2,1,3-benzothiadiazole is 180.04 g/mol.
Where can I buy 5-Ethoxy-2,1,3-benzothiadiazole?
You can request a quote for 5-Ethoxy-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-Ethoxy-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethoxy-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.