5-Benzhydryl-1,3,4-oxadiazole-2-thiol
TL;DR: 5-Benzhydryl-1,3,4-oxadiazole-2-thiol (CAS 93073-39-3) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydryl-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-benzhydryl-1,3,4-oxadiazole-2-thiol, 5-(diphenylmethyl)-1,3,4-oxadiazole-2-thiol, 5-benzhydryl-3H-1,3,4-oxadiazole-2-thione, BAS 00805225, 5-Benzhydryl-[1,3,4]oxadiazole-2-thiol
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.91239 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 664.0252 |
Chemical Identifiers
| CAS Number | 93073-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NNC(=S)O3 |
Product Overview
5-Benzhydryl-1,3,4-oxadiazole-2-thiol (CAS 93073-39-3), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: 5-benzhydryl-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol
Property Insights of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol
The XLogP value of 3.91239 indicates that 5-Benzhydryl-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 5-Benzhydryl-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzhydryl-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-Benzhydryl-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol is 93073-39-3.
What is the molecular formula of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol is C15H12N2OS.
What is the molecular weight of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-Benzhydryl-1,3,4-oxadiazole-2-thiol is 268.07 g/mol.
Where can I buy 5-Benzhydryl-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-Benzhydryl-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-Benzhydryl-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzhydryl-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.