2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
TL;DR: 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine (CAS 533-82-4) 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.
2,6-dimethyl-3-sulfanylidene-1,2,4-triazin-5-one
Also Known As: 2,6-dimethyl-3-sulfanylidene-1,2,4-triazin-5-one, 2,6-dimethyl-5-oxo-3-thioxo-1,2,4-triazine, 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine, 2,6-Dimethyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one #, 2,6-Dimethyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C5H7N3OS |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 0.14631 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.03099 |
| Heavy Atoms | 10 |
| Complexity | 319.3961 |
Chemical Identifiers
| CAS Number | 533-82-4 |
|---|---|
| SMILES | CC1=NN(C(=S)NC1=O)C |
Product Overview
2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine (CAS 533-82-4), with molecular formula C5H7N3OS and molecular weight 157.03 g/mol. IUPAC: 2,6-dimethyl-3-sulfanylidene-1,2,4-triazin-5-one.
Chemical Property Profile of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
Property Insights of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
The XLogP value of 0.14631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine. With a topological polar surface area (TPSA) of 50.68 Ų, 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine 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 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine?
The CAS number of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine is 533-82-4.
What is the molecular formula of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine?
The molecular formula of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine is C5H7N3OS.
What is the molecular weight of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine?
The molecular weight of 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine is 157.03 g/mol.
Where can I buy 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine?
You can request a quote for 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.