3-(Methylthio)-5-phenyl-1,2,4-triazine
TL;DR: 3-(Methylthio)-5-phenyl-1,2,4-triazine (CAS 28735-27-5) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-phenyl-1,2,4-triazine
Also Known As: 3-(methylthio)-5-phenyl-1,2,4-triazine, 1,2,4-Triazine, 3-(methylthio)-5-phenyl-, 3-methylsulfanyl-5-phenyl-1,2,4-triazine, 3-(methylsulfanyl)-5-phenyl-1,2,4-triazine, 3-(Methylthio)-5-phenyl-as-triazine
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| Solubility | 12.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 28735-27-5 |
|---|---|
| SMILES | CSC1=NC(=CN=N1)C2=CC=CC=C2 |
| InChIKey | MAPCYWNEYALWSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)-5-phenyl-1,2,4-triazine (CAS 28735-27-5), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 3-methylsulfanyl-5-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-(Methylthio)-5-phenyl-1,2,4-triazine
Property Insights of 3-(Methylthio)-5-phenyl-1,2,4-triazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-5-phenyl-1,2,4-triazine. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)-5-phenyl-1,2,4-triazine. Following Lipinski's Rule of Five, 3-(Methylthio)-5-phenyl-1,2,4-triazine has 0 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 3-(Methylthio)-5-phenyl-1,2,4-triazine?
The CAS number of 3-(Methylthio)-5-phenyl-1,2,4-triazine is 28735-27-5.
What is the molecular formula of 3-(Methylthio)-5-phenyl-1,2,4-triazine?
The molecular formula of 3-(Methylthio)-5-phenyl-1,2,4-triazine is C10H9N3S.
What is the molecular weight of 3-(Methylthio)-5-phenyl-1,2,4-triazine?
The molecular weight of 3-(Methylthio)-5-phenyl-1,2,4-triazine is 203.05 g/mol.
Where can I buy 3-(Methylthio)-5-phenyl-1,2,4-triazine?
You can request a quote for 3-(Methylthio)-5-phenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)-5-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-5-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.