5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one
TL;DR: 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one (CAS 23529-23-9) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-benzylsulfanyl-2-methyl-1,2,4-triazin-3-one
Also Known As: 1-Methyl-5-benzylthio-6-azacytosin, 5-amino-6-benzylsulfanyl-2-methyl-1,2,4-triazin-3-one, 5-amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one, 1,2,4-Triazin-3(2H)-one,5-amino-2-methyl-6-[(phenylmethyl)thio]-
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 23529-23-9 |
|---|---|
| SMILES | CN1C(=O)N=C(C(=N1)SCC2=CC=CC=C2)N |
| InChIKey | OQFNNWMMGQXTNT-UHFFFAOYSA-N |
Product Overview
5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one (CAS 23529-23-9), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 5-amino-6-benzylsulfanyl-2-methyl-1,2,4-triazin-3-one.
Chemical Property Profile of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one
Property Insights of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one. Following Lipinski's Rule of Five, 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one has 1 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-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one?
The CAS number of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one is 23529-23-9.
What is the molecular formula of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one?
The molecular formula of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one is C11H12N4OS.
What is the molecular weight of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one?
The molecular weight of 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one is 248.07 g/mol.
Where can I buy 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one?
You can request a quote for 5-Amino-6-(benzylsulfanyl)-2-methyl-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 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-(benzylsulfanyl)-2-methyl-1,2,4-triazin-3(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.