5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol (CAS 78613-11-3) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,2-diphenylethyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(alpha-Phenylphenethyl)-1,3,4-oxadiazole-2-thiol, 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol, 1,3,4-OXADIAZOLE-2-THIOL, 5-(alpha-PHENYLPHENETHYL)-, 5-(1,2-diphenylethyl)-3H-1,3,4-oxadiazole-2-thione, RefChem:1072329
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 4.10679 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 718.7475 |
Chemical Identifiers
| CAS Number | 78613-11-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NNC(=S)O3 |
Product Overview
5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol (CAS 78613-11-3), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: 5-(1,2-diphenylethyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 4.10679 indicates that 5-(1,2-Diphenylethyl)-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-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,2-Diphenylethyl)-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-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol is 78613-11-3.
What is the molecular formula of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol is C16H14N2OS.
What is the molecular weight of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol is 282.08 g/mol.
Where can I buy 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(1,2-Diphenylethyl)-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-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,2-Diphenylethyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.