5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 539811-22-8) is a chemical compound with molecular formula C15H12Cl2N4S and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichloroanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(3,4-dichloroanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(((3,4-Dichlorophenyl)amino)methyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione, 3-[(3,4-dichloroanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 3-{[(3,4-dichlorophenyl)amino]methyl}-4-phenyl-1,2,4-triazoline-5-thione, 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H12Cl2N4S |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 4.84879 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.01596 |
| Heavy Atoms | 22 |
| Complexity | 842.24884 |
Chemical Identifiers
| CAS Number | 539811-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 539811-22-8), with molecular formula C15H12Cl2N4S and molecular weight 350.02 g/mol. IUPAC: 3-[(3,4-dichloroanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.84879 indicates that 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.64 Ų, 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 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 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 539811-22-8.
What is the molecular formula of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C15H12Cl2N4S.
What is the molecular weight of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 350.02 g/mol.
Where can I buy 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((3,4-Dichloroanilino)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.