![5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol structure](/static/products/372/372174-58-8.png)
5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol
TL;DR: 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol (CAS 372174-58-8) is a chemical compound with molecular formula C9H5N3OS2 and molecular weight 234.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl] thiocyanate
Also Known As: 5-(4-thiocyanatophenyl)-1,3,4-oxadiazole-2-thiol, 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol, [4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenyl] thiocyanate, [4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl] thiocyanate, 4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl thiocyanate
| Molecular Formula | C9H5N3OS2 |
|---|---|
| Molecular Weight | 234.99 g/mol |
| LogP | 2.97237 |
| Topological Polar Surface Area | 65.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.98741 |
| Heavy Atoms | 15 |
| Complexity | 549.7267 |
Chemical Identifiers
| CAS Number | 372174-58-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)O2)SC#N |
Product Overview
5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol (CAS 372174-58-8), with molecular formula C9H5N3OS2 and molecular weight 234.99 g/mol. IUPAC: [4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl] thiocyanate.
Chemical Property Profile of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol
Property Insights of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol
The XLogP value of 2.97237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol. The TPSA of 65.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 5 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-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol?
The CAS number of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol is 372174-58-8.
What is the molecular formula of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol?
The molecular formula of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol is C9H5N3OS2.
What is the molecular weight of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol?
The molecular weight of 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol is 234.99 g/mol.
Where can I buy 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol?
You can request a quote for 5-(4-Thiocyanato-phenyl)-[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-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Thiocyanato-phenyl)-[1,3,4]oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.