3-(Methylthio)-5,6-diphenyl-1,2,4-triazine
TL;DR: 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine (CAS 28735-33-3) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5,6-diphenyl-1,2,4-triazine
Also Known As: as-Triazine, 5,6-diphenyl-3-(methylthio)-, ChemDiv2_004094, 3-(methylthio)-5,6-diphenyl-1,2,4-triazine, 3-(Methylsulfanyl)-5,6-diphenyl-1,2,4-triazine, DivK1c_005935
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 28735-33-3 |
|---|---|
| SMILES | CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | QJBICCUQQDXOQB-UHFFFAOYSA-N |
Product Overview
3-(Methylthio)-5,6-diphenyl-1,2,4-triazine (CAS 28735-33-3), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 3-methylsulfanyl-5,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine
Property Insights of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine
The XLogP value of 3.4 indicates that 3-(Methylthio)-5,6-diphenyl-1,2,4-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 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine. Following Lipinski's Rule of Five, 3-(Methylthio)-5,6-diphenyl-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)-5,6-diphenyl-1,2,4-triazine?
The CAS number of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine is 28735-33-3.
What is the molecular formula of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine?
The molecular formula of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine is C16H13N3S.
What is the molecular weight of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine?
The molecular weight of 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine is 279.08 g/mol.
Where can I buy 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine?
You can request a quote for 3-(Methylthio)-5,6-diphenyl-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)-5,6-diphenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-5,6-diphenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.