![5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/3626/362609-49-2.webp)
5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 362609-49-2) is a chemical compound with molecular formula C15H13IN4S and molecular weight 407.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-iodoanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, AB00094667-01, 3-[(4-iodoanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-{[(4-iodophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H13IN4S |
|---|---|
| Molecular Weight | 407.99 g/mol |
| LogP | 4.14659 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.99057 |
| Heavy Atoms | 21 |
| Complexity | 777.43823 |
Chemical Identifiers
| CAS Number | 362609-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=C(C=C3)I |
Product Overview
5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 362609-49-2), with molecular formula C15H13IN4S and molecular weight 407.99 g/mol. IUPAC: 3-[(4-iodoanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.14659 indicates that 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol 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-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol 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-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 362609-49-2.
What is the molecular formula of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is C15H13IN4S.
What is the molecular weight of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 407.99 g/mol.
Where can I buy 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.