3-ethyl-2-(methylthio)quinazolin-4(3H)-one
TL;DR: 3-ethyl-2-(methylthio)quinazolin-4(3H)-one (CAS 126135-06-6) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-methylsulfanylquinazolin-4-one
Also Known As: 3-ethyl-2-methylsulfanylquinazolin-4-one, 3-ethyl-2-(methylthio)quinazolin-4(3H)-one, IDI1_002906, BAS 00718595, 3-Ethyl-2-methylsulfanyl-3H-quinazolin-4-one
Technical Specifications
| Molecular Formula | C11H12N2OS |
| Molecular Weight | 220.06703 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06703 Da |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
| SMILES | CCN1C(=O)C2=CC=CC=C2N=C1SC |
| InChIKey | VKCYNIPWAJDPCU-UHFFFAOYSA-N |
Chemical Property Profile of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one
Property Insights of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-(methylthio)quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 58.0 Ų, 3-ethyl-2-(methylthio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-(methylthio)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one?
The CAS number of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one is 126135-06-6.
What is the molecular formula of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one?
The molecular formula of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one is C11H12N2OS.
What is the molecular weight of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one?
The molecular weight of 3-ethyl-2-(methylthio)quinazolin-4(3H)-one is 220.06703 g/mol.
Where can I buy 3-ethyl-2-(methylthio)quinazolin-4(3H)-one?
You can request a quote for 3-ethyl-2-(methylthio)quinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-ethyl-2-(methylthio)quinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-ethyl-2-(methylthio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.