![4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one structure](/static/products/691/691393-18-7.png)
4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
TL;DR: 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 691393-18-7) is a chemical compound with molecular formula C10H6Cl2N4OS and molecular weight 299.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: AS-871/43387311, 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, F3284-5968, 4-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one, (E)-4-((3,4-dichlorobenzylidene)amino)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C10H6Cl2N4OS |
|---|---|
| Molecular Weight | 299.96 g/mol |
| LogP | 2.48989 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.96393 |
| Heavy Atoms | 18 |
| Complexity | 694.053 |
Chemical Identifiers
| CAS Number | 691393-18-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=N/N2C(=O)C=NNC2=S)Cl)Cl |
Product Overview
4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 691393-18-7), with molecular formula C10H6Cl2N4OS and molecular weight 299.96 g/mol. IUPAC: 4-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
Property Insights of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
The XLogP value of 2.48989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one. Following Lipinski's Rule of Five, 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one 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 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The CAS number of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 691393-18-7.
What is the molecular formula of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular formula of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is C10H6Cl2N4OS.
What is the molecular weight of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular weight of 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 299.96 g/mol.
Where can I buy 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
You can request a quote for 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-dichlorobenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.