((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile
TL;DR: ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile (CAS 332109-95-2) is a chemical compound with molecular formula C17H12N4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
Also Known As: ChemDiv1_021387, BAS 01127304, BIM-0034416.P001, 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile, AB00097860-01
| Molecular Formula | C17H12N4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.82128 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.07828 |
| Heavy Atoms | 22 |
| Complexity | 797.8929 |
Chemical Identifiers
| CAS Number | 332109-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC#N)C3=CC=CC=C3 |
Product Overview
((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile (CAS 332109-95-2), with molecular formula C17H12N4S and molecular weight 304.08 g/mol. IUPAC: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile.
Chemical Property Profile of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile
Property Insights of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile
The XLogP value of 3.82128 indicates that ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile. Following Lipinski's Rule of Five, ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile has 0 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 ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile?
The CAS number of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile is 332109-95-2.
What is the molecular formula of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile?
The molecular formula of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile is C17H12N4S.
What is the molecular weight of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile?
The molecular weight of ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile is 304.08 g/mol.
Where can I buy ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile?
You can request a quote for ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.