6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
TL;DR: 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 4568-67-6) is a chemical compound with molecular formula C9H7N3OS and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 1,2,4-triazin-5-ol, 3-mercapto-6-phenyl-, 3-Thio-6-phenyl-2H-1,2,4-triazin-5-one, 3-Mercapto-6-phenyl-as-triazin-5-ol, 3-Mercapto-6-phenyl-[1,2,4]triazin-5-ol, 3-mercapto-6-phenyl-1,2,4-triazin-5-ol
| Molecular Formula | C9H7N3OS |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03099 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 4568-67-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)NC2=O |
| InChIKey | WAQGGKJKDGJEEA-UHFFFAOYSA-N |
Product Overview
6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 4568-67-6), with molecular formula C9H7N3OS and molecular weight 205.03 g/mol. IUPAC: 6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
Property Insights of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one 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 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The CAS number of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 4568-67-6.
What is the molecular formula of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular formula of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is C9H7N3OS.
What is the molecular weight of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular weight of 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 205.03 g/mol.
Where can I buy 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
You can request a quote for 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.