6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione
TL;DR: 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione (CAS 173276-51-2) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione
Also Known As: BAS 00103042, F1253-0005, 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2-thione, 3-(4-Nitro-phenyl)-6-p-tolyl-3,4-dihydro-1H-[1,3,5]triazine-2-thione, 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.00202 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 784.7325 |
Chemical Identifiers
| CAS Number | 173276-51-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NCN(C(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione (CAS 173276-51-2), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione.
Chemical Property Profile of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione
Property Insights of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione
The XLogP value of 3.00202 indicates that 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione. Following Lipinski's Rule of Five, 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione has 1 hydrogen bond donor(s) and 4 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 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione?
The CAS number of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione is 173276-51-2.
What is the molecular formula of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione?
The molecular formula of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione is C16H14N4O2S.
What is the molecular weight of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione?
The molecular weight of 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione is 326.08 g/mol.
Where can I buy 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione?
You can request a quote for 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.