6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
TL;DR: 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one (CAS 32331-13-8) is a chemical compound with molecular formula C9H15N3OS2 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Also Known As: 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, 6-(Hexylsulfanyl)-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
| Molecular Formula | C9H15N3OS2 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.49989 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.06566 |
| Heavy Atoms | 15 |
| Complexity | 398.8342 |
Chemical Identifiers
| CAS Number | 32331-13-8 |
|---|---|
| SMILES | CCCCCCSC1=NNC(=O)NC1=S |
Product Overview
6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one (CAS 32331-13-8), with molecular formula C9H15N3OS2 and molecular weight 245.07 g/mol. IUPAC: 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Property Insights of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
The XLogP value of 2.49989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one. Following Lipinski's Rule of Five, 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-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-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
The CAS number of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is 32331-13-8.
What is the molecular formula of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
The molecular formula of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is C9H15N3OS2.
What is the molecular weight of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
The molecular weight of 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is 245.07 g/mol.
Where can I buy 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
You can request a quote for 6-hexylsulfanyl-5-sulfanylidene-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 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.