5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478253-88-2) is a chemical compound with molecular formula C19H13ClN4S and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Chlorophenyl)-4-((naphthalen-1-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 5-(2-CHLOROPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((1E)-2-naphthyl-1-azavinyl)-5-(2-chlorophenyl)-1,2,4-triazole-3-thiol, 648-023-0, RefChem:529376
| Molecular Formula | C19H13ClN4S |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 5.29649 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.05493 |
| Heavy Atoms | 25 |
| Complexity | 1138.0905 |
Chemical Identifiers
| CAS Number | 478253-88-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC=CC=C4Cl |
Product Overview
5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478253-88-2), with molecular formula C19H13ClN4S and molecular weight 364.05 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.29649 indicates that 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-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 45.97 Ų, 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 478253-88-2.
What is the molecular formula of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C19H13ClN4S.
What is the molecular weight of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 364.05 g/mol.
Where can I buy 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-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-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chlorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.