![6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one structure](/static/products/5544/554423-58-4.webp)
6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one
TL;DR: 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one (CAS 554423-58-4) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-tert-butylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-[(4-tert-butylphenyl)methyl]-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one, 6-[(4-tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one, 6-[(4-tert-butylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one, 6-(4-tert-Butyl-benzyl)-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one, 6-[(4-tert-butylphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
| Molecular Formula | C14H17N3OS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 2.71579 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.10922 |
| Heavy Atoms | 19 |
| Complexity | 677.31775 |
Chemical Identifiers
| CAS Number | 554423-58-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CC2=NNC(=S)NC2=O |
Product Overview
6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one (CAS 554423-58-4), with molecular formula C14H17N3OS and molecular weight 275.11 g/mol. IUPAC: 6-[(4-tert-butylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one
Property Insights of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one
The XLogP value of 2.71579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one has 2 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 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one?
The CAS number of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one is 554423-58-4.
What is the molecular formula of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one?
The molecular formula of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one is C14H17N3OS.
What is the molecular weight of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one?
The molecular weight of 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one is 275.11 g/mol.
Where can I buy 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one?
You can request a quote for 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Tert-butylphenyl)methyl]-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.