5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478254-94-3) is a chemical compound with molecular formula C17H12Cl2N4S and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chloro-3-phenylallylidene)amino)-3-(3-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(3-CL-PHENYL)-4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(3-chlorophenyl)-4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((3Z,1E)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-5-(3-chlorophenyl)-1,2,4-tr iazole-3-thiol, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H12Cl2N4S |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 5.37489 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.01596 |
| Heavy Atoms | 24 |
| Complexity | 957.9768 |
Chemical Identifiers
| CAS Number | 478254-94-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl)\Cl |
Product Overview
5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478254-94-3), with molecular formula C17H12Cl2N4S and molecular weight 374.02 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.37489 indicates that 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)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-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)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-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)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-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 478254-94-3.
What is the molecular formula of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H12Cl2N4S.
What is the molecular weight of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 374.02 g/mol.
Where can I buy 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)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-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-CL-Phenyl)-4-((2-CL-3-PH-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.