2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine
TL;DR: 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine (CAS 13705-07-2) is a chemical compound with molecular formula C10H8ClN3S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-methylsulfanyl-6-phenyl-1,3,5-triazine
Also Known As: S-Triazine, 2-chloro-4-methylthio-6-phenyl-, 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine, J1.556.342G, 2-chloro-4-methylsulfanyl-6-phenyl-1,3,5-triazine, 2-Chloro-4-methylthio-6-phenyl-1,3,5-triazine
| Molecular Formula | C10H8ClN3S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.01274 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 13705-07-2 |
|---|---|
| SMILES | CSC1=NC(=NC(=N1)C2=CC=CC=C2)Cl |
| InChIKey | SFHATNLTYZSHPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine (CAS 13705-07-2), with molecular formula C10H8ClN3S and molecular weight 237.01 g/mol. IUPAC: 2-chloro-4-methylsulfanyl-6-phenyl-1,3,5-triazine.
Chemical Property Profile of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine
Property Insights of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine
The XLogP value of 3.9 indicates that 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine. Following Lipinski's Rule of Five, 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-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 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine?
The CAS number of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine is 13705-07-2.
What is the molecular formula of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine?
The molecular formula of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine is C10H8ClN3S.
What is the molecular weight of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine?
The molecular weight of 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine is 237.01 g/mol.
Where can I buy 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine?
You can request a quote for 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(methylsulfanyl)-6-phenyl-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.