2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
TL;DR: 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 6944-72-5) 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.
2-methyl-3-sulfanylidene-1,2,4-triazin-5-one
Also Known As: 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 2-methyl-3-thioxo-1,2,4-triazin-5-one, 2-methyl-3-sulfanylidene-1,2,4-triazin-5-one, 2-methyl-3-thioxo-1,2,4-triazin-5(4H)-one, 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2-methyl-3-thioxo-
| Molecular Formula | C4H5N3OS |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | -0.16211 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.01534 |
| Heavy Atoms | 9 |
| Complexity | 312.07904 |
Chemical Identifiers
| CAS Number | 6944-72-5 |
|---|---|
| SMILES | CN1C(=S)NC(=O)C=N1 |
Product Overview
2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 6944-72-5), with molecular formula C4H5N3OS and molecular weight 143.02 g/mol. IUPAC: 2-methyl-3-sulfanylidene-1,2,4-triazin-5-one.
Chemical Property Profile of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
Property Insights of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
The XLogP value of -0.16211 indicates that 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.68 Ų, 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one has 1 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 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The CAS number of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 6944-72-5.
What is the molecular formula of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular formula of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is C4H5N3OS.
What is the molecular weight of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular weight of 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 143.02 g/mol.
Where can I buy 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
You can request a quote for 2-Methyl-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 2-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-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.