![4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/466/466656-19-9.png)
4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 466656-19-9) is a chemical compound with molecular formula C9H6Cl2N4S and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: AF-665/34626022, 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-4H-1,2,4-triazole-3-thiol, 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, F3098-1324
| Molecular Formula | C9H6Cl2N4S |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 3.12969 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.96902 |
| Heavy Atoms | 16 |
| Complexity | 566.94006 |
Chemical Identifiers
| CAS Number | 466656-19-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=N/N2C=NNC2=S)Cl |
Product Overview
4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 466656-19-9), with molecular formula C9H6Cl2N4S and molecular weight 271.97 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.12969 indicates that 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 466656-19-9.
What is the molecular formula of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H6Cl2N4S.
What is the molecular weight of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 271.97 g/mol.
Where can I buy 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,6-dichlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.