2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione
TL;DR: 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione (CAS 56682-07-6) is a chemical compound with molecular formula C4H5N3O2S and molecular weight 159.01 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-triazinane-5,6-dione
Also Known As: Thiotriazinone, 2-methyl-3-thioxo-1,2,4-triazinane-5,6-dione, Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione, Ceftriaxone EP Impurity C, Ceftriaxone Impurity C
| Molecular Formula | C4H5N3O2S |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | -0.86881 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.01025 |
| Heavy Atoms | 10 |
| Complexity | 397.9442 |
Chemical Identifiers
| CAS Number | 56682-07-6 |
|---|---|
| SMILES | CN1C(=S)NC(=O)C(=O)N1 |
Product Overview
2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione (CAS 56682-07-6), with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol. IUPAC: 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione.
Chemical Property Profile of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione
Property Insights of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione
The XLogP value of -0.86881 indicates that 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione. Following Lipinski's Rule of Five, 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione 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 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione?
The CAS number of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione is 56682-07-6.
What is the molecular formula of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione?
The molecular formula of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione is C4H5N3O2S.
What is the molecular weight of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione?
The molecular weight of 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione is 159.01 g/mol.
Where can I buy 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione?
You can request a quote for 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione 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-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.