4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate
TL;DR: 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate (CAS 6596-82-3) is a chemical compound with molecular formula C14H10N3S- and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diphenyl-1,2,4-triazole-3-thiolate
Also Known As: 4,5-diphenyl-4H-1,2,4-triazole-3-thiol, 4,5-diphenyl-1,2,4-triazole-3-thiolate, 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate
| Molecular Formula | C14H10N3S- |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.8401 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05954 |
| Heavy Atoms | 18 |
| Complexity | 647.3157 |
Chemical Identifiers
| CAS Number | 6596-82-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-] |
Product Overview
4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate (CAS 6596-82-3), with molecular formula C14H10N3S- and molecular weight 252.06 g/mol. IUPAC: 4,5-diphenyl-1,2,4-triazole-3-thiolate.
Chemical Property Profile of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate
Property Insights of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate
The XLogP value of 2.8401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate. With a topological polar surface area (TPSA) of 30.71 Ų, 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate 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 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate?
The CAS number of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate is 6596-82-3.
What is the molecular formula of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate?
The molecular formula of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate is C14H10N3S-.
What is the molecular weight of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate?
The molecular weight of 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate is 252.06 g/mol.
Where can I buy 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate?
You can request a quote for 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.