![3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine structure](/static/products/710/710982-79-9.png)
3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
TL;DR: 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine (CAS 710982-79-9) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine
Also Known As: 3-[(4-nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine, 3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine, 3-[(4-nitrophenyl)methylthio]-6-phenyl-1,2,4-triazine, 3-{[(4-NITROPHENYL)METHYL]SULFANYL}-6-PHENYL-1,2,4-TRIAZINE
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.7391 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 792.5739 |
Chemical Identifiers
| CAS Number | 710982-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C(N=N2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine (CAS 710982-79-9), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
Property Insights of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
The XLogP value of 3.7391 indicates that 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine. Following Lipinski's Rule of Five, 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 6 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 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The CAS number of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is 710982-79-9.
What is the molecular formula of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The molecular formula of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is C16H12N4O2S.
What is the molecular weight of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The molecular weight of 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is 324.07 g/mol.
Where can I buy 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
You can request a quote for 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.