6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine
TL;DR: 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine (CAS 731771-46-3) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-3-methyl-2,4-dihydro-1H-1,3,5-triazine
Also Known As: Maybridge1_003583, 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine, 6-benzylsulfanyl-3-methyl-2,4-dihydro-1H-1,3,5-triazine
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 1.7258 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 336.94608 |
Chemical Identifiers
| CAS Number | 731771-46-3 |
|---|---|
| SMILES | CN1CNC(=NC1)SCC2=CC=CC=C2 |
Product Overview
6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine (CAS 731771-46-3), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: 6-benzylsulfanyl-3-methyl-2,4-dihydro-1H-1,3,5-triazine.
Chemical Property Profile of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine
Property Insights of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine
The XLogP value of 1.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine. With a topological polar surface area (TPSA) of 27.63 Ų, 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine has 1 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 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The CAS number of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine is 731771-46-3.
What is the molecular formula of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The molecular formula of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine is C11H15N3S.
What is the molecular weight of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The molecular weight of 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine is 221.10 g/mol.
Where can I buy 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine?
You can request a quote for 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-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 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.