1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-
TL;DR: 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- (CAS 69466-60-0) 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.
5-(3-chlorophenyl)-3-methylsulfanyl-1,2,4-triazine
Also Known As: 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-, 1,2,4-Triazine,5- -3- -, as-Triazine, 5-(m-chlorophenyl)-3-(methylthio)-, 5-(m-Chlorophenyl)-3-(methylthio)-as-triazine, 5-26-03-00301 (Beilstein Handbook Reference)
| Molecular Formula | C10H8ClN3S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.9139 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.01274 |
| Heavy Atoms | 15 |
| Complexity | 475.7296 |
Chemical Identifiers
| CAS Number | 69466-60-0 |
|---|---|
| SMILES | CSC1=NC(=CN=N1)C2=CC(=CC=C2)Cl |
Product Overview
1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- (CAS 69466-60-0), with molecular formula C10H8ClN3S and molecular weight 237.01 g/mol. IUPAC: 5-(3-chlorophenyl)-3-methylsulfanyl-1,2,4-triazine.
Chemical Property Profile of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-
Property Insights of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-
The XLogP value of 2.9139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-. With a topological polar surface area (TPSA) of 38.67 Ų, 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- 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 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-?
The CAS number of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- is 69466-60-0.
What is the molecular formula of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-?
The molecular formula of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- is C10H8ClN3S.
What is the molecular weight of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-?
The molecular weight of 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- is 237.01 g/mol.
Where can I buy 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-?
You can request a quote for 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine, 5-(3-chlorophenyl)-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.