2-Mercapto-4(3H)-quinazolinone
TL;DR: 2-Mercapto-4(3H)-quinazolinone (CAS 123533-72-2) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-Mercapto-4(3H)-quinazolinone, 2-Mercaptoquinazolin-4(3H)-one, null, 2-mercapto(3H)quinazolinone, 2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C8H6N2OS |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02008 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 123533-72-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=S)N2 |
| InChIKey | PUPFOFVEHDNUJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-4(3H)-quinazolinone (CAS 123533-72-2), with molecular formula C8H6N2OS and molecular weight 178.02 g/mol. IUPAC: 2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-Mercapto-4(3H)-quinazolinone
Property Insights of 2-Mercapto-4(3H)-quinazolinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-4(3H)-quinazolinone. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 2-Mercapto-4(3H)-quinazolinone has 2 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-4(3H)-quinazolinone?
The CAS number of 2-Mercapto-4(3H)-quinazolinone is 123533-72-2.
What is the molecular formula of 2-Mercapto-4(3H)-quinazolinone?
The molecular formula of 2-Mercapto-4(3H)-quinazolinone is C8H6N2OS.
What is the molecular weight of 2-Mercapto-4(3H)-quinazolinone?
The molecular weight of 2-Mercapto-4(3H)-quinazolinone is 178.02 g/mol.
Where can I buy 2-Mercapto-4(3H)-quinazolinone?
You can request a quote for 2-Mercapto-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.