(E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488129-44-8) is a chemical compound with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-chlorophenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-chlorophenyl)-4-{[(E)-2-pyridinylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide, 5-(4-chlorophenyl)-4-{[(E)-pyridin-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H10ClN5S |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.53829 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.03455 |
| Heavy Atoms | 21 |
| Complexity | 820.5756 |
Chemical Identifiers
| CAS Number | 488129-44-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl |
Product Overview
(E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488129-44-8), with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol. IUPAC: 3-(4-chlorophenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.53829 indicates that (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)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 58.86 Ų, (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol has 1 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 (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 488129-44-8.
What is the molecular formula of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C14H10ClN5S.
What is the molecular weight of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 315.03 g/mol.
Where can I buy (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)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 (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.