3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 1705-09-5) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-3-methylquinazolin-4(3H)-one, 2-Mercapto-3-methyl-3H-quinazolin-4-one, 3-methyl-2-sulfanylidene-1H-quinazolin-4-one, 3-methyl-2-thioxo-1H-quinazolin-4-one, 3-methyl-2-thioxo-4-quinazolone
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1705-09-5 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | NVINMHFLRZHVKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 1705-09-5), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 3-methyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-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 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one is 1705-09-5.
What is the molecular formula of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one is C9H8N2OS.
What is the molecular weight of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one is 192.04 g/mol.
Where can I buy 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.