5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
TL;DR: 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one (CAS 32570-93-7) is a chemical compound with molecular formula C9H8N4OS and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
Also Known As: 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one, 5-amino-6-phenyl-pyridine-3,4-dicarboxylic acid, 5-amino-6-(phenylsulfanyl)-1,2,4-triazin-3(2h)-one, 5-amino-6-phenylpyridine-3,4-dicaboxylic acid, 5-Amino-6-(phenylsulfanyl)-1,2,4-triazin-3-ol
| Molecular Formula | C9H8N4OS |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04189 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 32570-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NNC(=O)N=C2N |
| InChIKey | GHFLHLAZJLTBKA-UHFFFAOYSA-N |
Product Overview
5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one (CAS 32570-93-7), with molecular formula C9H8N4OS and molecular weight 220.04 g/mol. IUPAC: 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
Property Insights of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one. Following Lipinski's Rule of Five, 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-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 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The CAS number of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is 32570-93-7.
What is the molecular formula of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular formula of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is C9H8N4OS.
What is the molecular weight of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular weight of 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is 220.04 g/mol.
Where can I buy 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
You can request a quote for 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.