6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one
TL;DR: 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one (CAS 32330-97-5) is a chemical compound with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Also Known As: 18-hydroxy-9,10-epoxyoctadecanoic acid, 6-phenylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one, 6-(Phenylsulfanyl)-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
| Molecular Formula | C9H7N3OS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 1.97869 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00305 |
| Heavy Atoms | 15 |
| Complexity | 561.3153 |
Chemical Identifiers
| CAS Number | 32330-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NNC(=O)NC2=S |
Product Overview
6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one (CAS 32330-97-5), with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol. IUPAC: 6-phenylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one
Property Insights of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one
The XLogP value of 1.97869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one. Following Lipinski's Rule of Five, 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one has 2 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 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The CAS number of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one is 32330-97-5.
What is the molecular formula of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The molecular formula of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one is C9H7N3OS2.
What is the molecular weight of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The molecular weight of 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one is 237.00 g/mol.
Where can I buy 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one?
You can request a quote for 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.