4-Neopentyloxypyrimidine-2-thiol
TL;DR: 4-Neopentyloxypyrimidine-2-thiol (CAS 119612-61-2) is a chemical compound with molecular formula C9H14N2OS and molecular weight 198.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,2-dimethylpropoxy)-1H-pyrimidine-2-thione
Also Known As: 4-Neopentyloxypyrimidine-2-thiol, 4-(2,2-dimethylpropoxy)pyrimidine-2-thiol, 6-(2,2-dimethylpropoxy)-1H-pyrimidine-2-thione, 4-(2,2-Dimethylpropyloxy)pyrimidine-2-thiol, 6-(2,2-Dimethylpropoxy)pyrimidine-2(1H)-thione
Technical Specifications
| Molecular Formula | C9H14N2OS |
| Molecular Weight | 198.08269 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.08269 Da |
| Heavy Atoms | 13 |
| Complexity | 263.0 |
| SMILES | CC(C)(C)COC1=CC=NC(=S)N1 |
| InChIKey | FNQDJRJQSXMOND-UHFFFAOYSA-N |
Chemical Property Profile of 4-Neopentyloxypyrimidine-2-thiol
Property Insights of 4-Neopentyloxypyrimidine-2-thiol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Neopentyloxypyrimidine-2-thiol. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Neopentyloxypyrimidine-2-thiol. Following Lipinski's Rule of Five, 4-Neopentyloxypyrimidine-2-thiol 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-Neopentyloxypyrimidine-2-thiol?
The CAS number of 4-Neopentyloxypyrimidine-2-thiol is 119612-61-2.
What is the molecular formula of 4-Neopentyloxypyrimidine-2-thiol?
The molecular formula of 4-Neopentyloxypyrimidine-2-thiol is C9H14N2OS.
What is the molecular weight of 4-Neopentyloxypyrimidine-2-thiol?
The molecular weight of 4-Neopentyloxypyrimidine-2-thiol is 198.08269 g/mol.
Where can I buy 4-Neopentyloxypyrimidine-2-thiol?
You can request a quote for 4-Neopentyloxypyrimidine-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Neopentyloxypyrimidine-2-thiol?
Yes, CoreyChem provides custom synthesis services for 4-Neopentyloxypyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.