4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 517869-96-4) is a chemical compound with molecular formula C19H15N5S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, A3486/0147830, 4-[4-(phenylamino)phenyl]-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(4-ANILINOPHENYL)-5-(4-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C19H15N5S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 4.73549 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.10483 |
| Heavy Atoms | 25 |
| Complexity | 1020.86975 |
Chemical Identifiers
| CAS Number | 517869-96-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)N3C(=NNC3=S)C4=CC=NC=C4 |
Product Overview
4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 517869-96-4), with molecular formula C19H15N5S and molecular weight 345.10 g/mol. IUPAC: 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.73549 indicates that 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione has 2 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 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 517869-96-4.
What is the molecular formula of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is C19H15N5S.
What is the molecular weight of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 345.10 g/mol.
Where can I buy 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-anilinophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.