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 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H14N2OS |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.56409 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.08269 |
| Heavy Atoms | 13 |
| Complexity | 326.87686 |
Chemical Identifiers
| CAS Number | 119612-61-2 |
|---|---|
| SMILES | CC(C)(C)COC1=CC=NC(=S)N1 |
Product Overview
4-Neopentyloxypyrimidine-2-thiol (CAS 119612-61-2), with molecular formula C9H14N2OS and molecular weight 198.08 g/mol. IUPAC: 6-(2,2-dimethylpropoxy)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-Neopentyloxypyrimidine-2-thiol
Property Insights of 4-Neopentyloxypyrimidine-2-thiol
The XLogP value of 2.56409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Neopentyloxypyrimidine-2-thiol. With a topological polar surface area (TPSA) of 37.91 Ų, 4-Neopentyloxypyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Neopentyloxypyrimidine-2-thiol has 1 hydrogen bond donor(s) and 3 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 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 198.08 g/mol.
Where can I buy 4-Neopentyloxypyrimidine-2-thiol?
You can request a quote for 4-Neopentyloxypyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Neopentyloxypyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Neopentyloxypyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.