6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
TL;DR: 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one (CAS 16946-85-3) is a chemical compound with molecular formula C5H7N3OS and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
Also Known As: 6-methyl-5-methylsulfanyl-2H-[1,2,4]triazin-3-one, 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
| Molecular Formula | C5H7N3OS |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 0.19522 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.03099 |
| Heavy Atoms | 10 |
| Complexity | 282.4667 |
Chemical Identifiers
| CAS Number | 16946-85-3 |
|---|---|
| SMILES | CC1=NNC(=O)N=C1SC |
Product Overview
6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one (CAS 16946-85-3), with molecular formula C5H7N3OS and molecular weight 157.03 g/mol. IUPAC: 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
Property Insights of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
The XLogP value of 0.19522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one. With a topological polar surface area (TPSA) of 58.64 Ų, 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-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 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one?
The CAS number of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one is 16946-85-3.
What is the molecular formula of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular formula of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one is C5H7N3OS.
What is the molecular weight of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular weight of 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one is 157.03 g/mol.
Where can I buy 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one?
You can request a quote for 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.