5-Benzyl-1,3,4-oxadiazole-2-thiol
TL;DR: 5-Benzyl-1,3,4-oxadiazole-2-thiol (CAS 23288-90-6) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-benzyl-1,3,4-oxadiazole-2-thiol, 5-Benzyl-[1,3,4]oxadiazole-2-thiol, 1-Naphthoylchloride, ChemDiv2_001277, 5-benzyl-3H-1,3,4-oxadiazole-2-thione
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.32299 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 432.13028 |
Chemical Identifiers
| CAS Number | 23288-90-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=S)O2 |
Product Overview
5-Benzyl-1,3,4-oxadiazole-2-thiol (CAS 23288-90-6), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 5-benzyl-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-Benzyl-1,3,4-oxadiazole-2-thiol
Property Insights of 5-Benzyl-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.32299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-1,3,4-oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 41.82 Ų, 5-Benzyl-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1,3,4-oxadiazole-2-thiol has 1 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-Benzyl-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-Benzyl-1,3,4-oxadiazole-2-thiol is 23288-90-6.
What is the molecular formula of 5-Benzyl-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-Benzyl-1,3,4-oxadiazole-2-thiol is C9H8N2OS.
What is the molecular weight of 5-Benzyl-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-Benzyl-1,3,4-oxadiazole-2-thiol is 192.04 g/mol.
Where can I buy 5-Benzyl-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-Benzyl-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.