2-Mercapto-3-o-tolyl-3H-quinazolin-4-one
TL;DR: 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one (CAS 5936-35-6) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one, 2-Naphthalenol, 8-amino-, 3-(2-methylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-tolyl-quinazol-4-one-2-thione, 2-Mercapto-3-(o-tolyl)quinazolin-4(3H)-one
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 5936-35-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3NC2=S |
| InChIKey | ITSACSSSWMTFGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-3-o-tolyl-3H-quinazolin-4-one (CAS 5936-35-6), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: 3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one
Property Insights of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one
The XLogP value of 3.1 indicates that 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 2-Mercapto-3-o-tolyl-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
Frequently Asked Questions
What is the CAS number of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one?
The CAS number of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one is 5936-35-6.
What is the molecular formula of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one?
The molecular formula of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one is C15H12N2OS.
What is the molecular weight of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one?
The molecular weight of 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one is 268.07 g/mol.
Where can I buy 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one?
You can request a quote for 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.