3-Isobutyl-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-Isobutyl-2-mercapto-3H-quinazolin-4-one (CAS 117038-39-8) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Isobutyl-2-mercapto-3H-quinazolin-4-one, TimTec1_001142, isobutylthioxodihydroquinazolinone, JS-067C, 3-Isobutyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.08269 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.08269 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CC(C)CN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | RFGUKOKQKYFARZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutyl-2-mercapto-3H-quinazolin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isobutyl-2-mercapto-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-Isobutyl-2-mercapto-3H-quinazolin-4-one 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 3-Isobutyl-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one is 117038-39-8.
What is the molecular formula of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one is C12H14N2OS.
What is the molecular weight of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-Isobutyl-2-mercapto-3H-quinazolin-4-one is 234.08269 g/mol.
Where can I buy 3-Isobutyl-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-Isobutyl-2-mercapto-3H-quinazolin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isobutyl-2-mercapto-3H-quinazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Isobutyl-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.