4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 613230-43-6) is a chemical compound with molecular formula C19H14N4S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((naphthalen-1-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((1-NAPHTHYLMETHYLENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-naphthalen-1-ylmethylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H14N4S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 4.64309 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0939 |
| Heavy Atoms | 24 |
| Complexity | 1071.9312 |
Chemical Identifiers
| CAS Number | 613230-43-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43 |
Product Overview
4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 613230-43-6), with molecular formula C19H14N4S and molecular weight 330.09 g/mol. IUPAC: 4-[(E)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.64309 indicates that 4-((1-Naphthylmethylene)amino)-5-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 45.97 Ų, 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 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 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 613230-43-6.
What is the molecular formula of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C19H14N4S.
What is the molecular weight of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 330.09 g/mol.
Where can I buy 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((1-Naphthylmethylene)amino)-5-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 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Naphthylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.