4-Quinazolinethiol
TL;DR: 4-Quinazolinethiol (CAS 3337-86-8) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-quinazoline-4-thione
Also Known As: quinazoline-4-thiol, 4-Quinazolinethiol, 4-Mercaptoquinazoline, 4(3H)-Quinazolinethione, 1H-quinazoline-4-thione
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 3337-86-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N=CN2 |
| InChIKey | TWWNPUZQYVWXJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Quinazolinethiol (CAS 3337-86-8), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 1H-quinazoline-4-thione.
Chemical Property Profile of 4-Quinazolinethiol
Property Insights of 4-Quinazolinethiol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinazolinethiol. With a topological polar surface area (TPSA) of 56.5 Ų, 4-Quinazolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinazolinethiol has 1 hydrogen bond donor(s) and 1 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 4-Quinazolinethiol?
The CAS number of 4-Quinazolinethiol is 3337-86-8.
What is the molecular formula of 4-Quinazolinethiol?
The molecular formula of 4-Quinazolinethiol is C8H6N2S.
What is the molecular weight of 4-Quinazolinethiol?
The molecular weight of 4-Quinazolinethiol is 162.03 g/mol.
Where can I buy 4-Quinazolinethiol?
You can request a quote for 4-Quinazolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Quinazolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinazolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.