5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
TL;DR: 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide (CAS 7338-77-4) is a chemical compound with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide
Also Known As: 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide, 5-hydroxy-3-sulfanyl-1,2,4-triazine-6-carboxamide, 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide, 1,2,4-Triazine-6-carboxamide, 5-hydroxy-3-mercapto-, 5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
| Molecular Formula | C4H4N4O2S |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | -1.07361 |
| Topological Polar Surface Area | 104.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0055 |
| Heavy Atoms | 11 |
| Complexity | 391.5688 |
Chemical Identifiers
| CAS Number | 7338-77-4 |
|---|---|
| SMILES | C1(=NNC(=S)NC1=O)C(=O)N |
Product Overview
5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide (CAS 7338-77-4), with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol. IUPAC: 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide.
Chemical Property Profile of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Property Insights of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
The XLogP value of -1.07361 indicates that 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide. Following Lipinski's Rule of Five, 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide has 3 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-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide?
The CAS number of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide is 7338-77-4.
What is the molecular formula of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide?
The molecular formula of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide is C4H4N4O2S.
What is the molecular weight of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide?
The molecular weight of 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide is 172.01 g/mol.
Where can I buy 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide?
You can request a quote for 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.