3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide
TL;DR: 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide (CAS 218157-38-1) is a chemical compound with molecular formula C9H16IN3S and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
Also Known As: 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide, 3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodide, 1-(2-methylbut-3-yn-2-yl)-4-methylsulfanyl-3,6-dihydro-2H-1,3,5-triazine Hydroiodide, 3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine hydroiodide, 3-(2-methylbut-3-yn-2-yl)-6-(methylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide
| Molecular Formula | C9H16IN3S |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 1.5554 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.01096 |
| Heavy Atoms | 14 |
| Complexity | 257.27292 |
Chemical Identifiers
| CAS Number | 218157-38-1 |
|---|---|
| SMILES | CC(C)(C#C)N1CNC(=NC1)SC.I |
Product Overview
3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide (CAS 218157-38-1), with molecular formula C9H16IN3S and molecular weight 325.01 g/mol. IUPAC: 3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodide.
Chemical Property Profile of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide
Property Insights of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide
The XLogP value of 1.5554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide. With a topological polar surface area (TPSA) of 27.63 Ų, 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide 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 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide?
The CAS number of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide is 218157-38-1.
What is the molecular formula of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide?
The molecular formula of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide is C9H16IN3S.
What is the molecular weight of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide?
The molecular weight of 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide is 325.01 g/mol.
Where can I buy 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide?
You can request a quote for 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazine hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.