3-(Ethylthio)-5-phenyl-1,2,4-triazine
TL;DR: 3-(Ethylthio)-5-phenyl-1,2,4-triazine (CAS 77164-79-5) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-5-phenyl-1,2,4-triazine
Also Known As: ChemDiv2_001022, 3-(Ethylthio)-5-phenyl-1,2,4-triazine, 3-ethylthio-5-phenyl-1,2,4-triazine, 3-ethylsulfanyl-5-phenyl-1,2,4-triazine, 3-(ethylsulfanyl)-5-phenyl-1,2,4-triazine
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.6506 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 430.85797 |
Chemical Identifiers
| CAS Number | 77164-79-5 |
|---|---|
| SMILES | CCSC1=NC(=CN=N1)C2=CC=CC=C2 |
Product Overview
3-(Ethylthio)-5-phenyl-1,2,4-triazine (CAS 77164-79-5), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 3-ethylsulfanyl-5-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-(Ethylthio)-5-phenyl-1,2,4-triazine
Property Insights of 3-(Ethylthio)-5-phenyl-1,2,4-triazine
The XLogP value of 2.6506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethylthio)-5-phenyl-1,2,4-triazine. With a topological polar surface area (TPSA) of 38.67 Ų, 3-(Ethylthio)-5-phenyl-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethylthio)-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-(Ethylthio)-5-phenyl-1,2,4-triazine?
The CAS number of 3-(Ethylthio)-5-phenyl-1,2,4-triazine is 77164-79-5.
What is the molecular formula of 3-(Ethylthio)-5-phenyl-1,2,4-triazine?
The molecular formula of 3-(Ethylthio)-5-phenyl-1,2,4-triazine is C11H11N3S.
What is the molecular weight of 3-(Ethylthio)-5-phenyl-1,2,4-triazine?
The molecular weight of 3-(Ethylthio)-5-phenyl-1,2,4-triazine is 217.07 g/mol.
Where can I buy 3-(Ethylthio)-5-phenyl-1,2,4-triazine?
You can request a quote for 3-(Ethylthio)-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-(Ethylthio)-5-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylthio)-5-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.