5-Benzylthiadiazole
TL;DR: 5-Benzylthiadiazole (CAS 80491-28-7) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylthiadiazole
Also Known As: 5-benzylthiadiazole, 5-Benzyl-1,2,3-thiadiazole
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.1289 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 328.6939 |
Chemical Identifiers
| CAS Number | 80491-28-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CN=NS2 |
Product Overview
5-Benzylthiadiazole (CAS 80491-28-7), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 5-benzylthiadiazole.
Chemical Property Profile of 5-Benzylthiadiazole
Property Insights of 5-Benzylthiadiazole
The XLogP value of 2.1289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylthiadiazole. With a topological polar surface area (TPSA) of 25.78 Ų, 5-Benzylthiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylthiadiazole 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-Benzylthiadiazole?
The CAS number of 5-Benzylthiadiazole is 80491-28-7.
What is the molecular formula of 5-Benzylthiadiazole?
The molecular formula of 5-Benzylthiadiazole is C9H8N2S.
What is the molecular weight of 5-Benzylthiadiazole?
The molecular weight of 5-Benzylthiadiazole is 176.04 g/mol.
Where can I buy 5-Benzylthiadiazole?
You can request a quote for 5-Benzylthiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylthiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylthiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.