3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
TL;DR: 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione (CAS 501106-00-9) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
Also Known As: ChemDiv3_004520, IDI1_022430, 3-(4-Chloro-phenyl)-6-phenyl-3,4-dihydro-1H-[1,3,5]triazine-2-thione, 3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione, BRD-K48047552-001-01-0
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.4388 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 652.5787 |
Chemical Identifiers
| CAS Number | 501106-00-9 |
|---|---|
| SMILES | C1N=C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione (CAS 501106-00-9), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione.
Chemical Property Profile of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
Property Insights of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
The XLogP value of 3.4388 indicates that 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione has 1 hydrogen bond donor(s) and 2 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-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The CAS number of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is 501106-00-9.
What is the molecular formula of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The molecular formula of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is C15H12ClN3S.
What is the molecular weight of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The molecular weight of 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is 301.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
You can request a quote for 3-(4-Chlorophenyl)-6-phenyl-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 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.