![3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one structure](/static/products/373/373374-17-5.png)
3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one
TL;DR: 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one (CAS 373374-17-5) is a chemical compound with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-sulfanylidene-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazin-5-one
Also Known As: 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one, (E)-6-methyl-3-thioxo-4-((3,4,5-trimethoxybenzylidene)amino)-3,4-dihydro-1,2,4-triazin-5(2H)-one, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-6-methyl-3-thioxo-2H-1,2,4-tria zin-5-one, 6-methyl-3-sulfanyl-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-1,2,4-triazin-5(4H)-one, 6-methyl-3-sulfanylidene-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazin-5-one
| Molecular Formula | C14H16N4O4S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 1.51731 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.08923 |
| Heavy Atoms | 23 |
| Complexity | 831.58136 |
Chemical Identifiers
| CAS Number | 373374-17-5 |
|---|---|
| SMILES | CC1=NNC(=S)N(C1=O)/N=C/C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one (CAS 373374-17-5), with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol. IUPAC: 6-methyl-3-sulfanylidene-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one
Property Insights of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one
The XLogP value of 1.51731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one has 1 hydrogen bond donor(s) and 7 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 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one?
The CAS number of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one is 373374-17-5.
What is the molecular formula of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one?
The molecular formula of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one is C14H16N4O4S.
What is the molecular weight of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one?
The molecular weight of 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one is 336.09 g/mol.
Where can I buy 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one?
You can request a quote for 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-mercapto-6-methyl-4-[(3,4,5-trimethoxybenzylidene)amino]-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.