5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478253-83-7) 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-(2-chlorophenyl)-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Chlorophenyl)-4-((pyridin-3-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 5-(2-CHLOROPHENYL)-4-((3-PYRIDINYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-5-(2-chlorophenyl)-4-((pyridin-3-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-chlorophenyl)-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 4-((1E)-2-(3-pyridyl)-1-azavinyl)-5-(2-chlorophenyl)-1,2,4-triazole-3-thiol
| 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 | 837.8256 |
Chemical Identifiers
| CAS Number | 478253-83-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CN=CC=C3)Cl |
Product Overview
5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478253-83-7), with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.53829 indicates that 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)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, 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)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-((3-pyridinylmethylene)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 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 478253-83-7.
What is the molecular formula of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C14H10ClN5S.
What is the molecular weight of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 315.03 g/mol.
Where can I buy 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)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-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chlorophenyl)-4-((3-pyridinylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.