4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
TL;DR: 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine (CAS 101558-55-8) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,6-trimethyl-2-methylsulfanyl-1H-pyrimidine
Also Known As: Bionet2_001501, 4,6,6-trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine, 4,4,6-trimethyl-2-methylsulfanyl-1H-pyrimidine, 10F-312S, 1,6-dihydro-4,6,6-trimethyl-2-methylthiopyrimidine
Technical Specifications
| Molecular Formula | C8H14N2S |
| Molecular Weight | 170.08777 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.08777 Da |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
| SMILES | CC1=CC(N=C(N1)SC)(C)C |
| InChIKey | XEECXGYFDOJDNN-UHFFFAOYSA-N |
Chemical Property Profile of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
Property Insights of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine. With a topological polar surface area (TPSA) of 49.7 Ų, 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The CAS number of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is 101558-55-8.
What is the molecular formula of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The molecular formula of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is C8H14N2S.
What is the molecular weight of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The molecular weight of 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is 170.08777 g/mol.
Where can I buy 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
You can request a quote for 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
Yes, CoreyChem provides custom synthesis services for 4,6,6-Trimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.