5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one
TL;DR: 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one (CAS 57360-30-2) is a chemical compound with molecular formula C4H5N3OS and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-2H-1,2,4-triazin-3-one
Also Known As: 5-(methylthio)-2,3-dihydro-1,2,4-triazin-3-one, 5-methylsulfanyl-2H-1,2,4-triazin-3-one, 1,2,4-Triazin-3(2H)-one,5-(methylthio)-(9CI), 5-(Methylthio)-1,2,4-triazin-3(4H)-one, 5-(methylthio)-1,2,4-triazin-3(2H)-one
| Molecular Formula | C4H5N3OS |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | -0.1132 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.01534 |
| Heavy Atoms | 9 |
| Complexity | 245.5681 |
Chemical Identifiers
| CAS Number | 57360-30-2 |
|---|---|
| SMILES | CSC1=NC(=O)NN=C1 |
Product Overview
5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one (CAS 57360-30-2), with molecular formula C4H5N3OS and molecular weight 143.02 g/mol. IUPAC: 5-methylsulfanyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one
Property Insights of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one
The XLogP value of -0.1132 indicates that 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.64 Ų, 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylthio)-2,3-dihydro-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 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one?
The CAS number of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one is 57360-30-2.
What is the molecular formula of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one?
The molecular formula of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one is C4H5N3OS.
What is the molecular weight of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one?
The molecular weight of 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one is 143.02 g/mol.
Where can I buy 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one?
You can request a quote for 5-(Methylthio)-2,3-dihydro-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 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-2,3-dihydro-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.