2-(Trifluoromethyl)quinazoline-4-thiol
TL;DR: 2-(Trifluoromethyl)quinazoline-4-thiol (CAS 35982-23-1) is a chemical compound with molecular formula C9H5F3N2S and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1H-quinazoline-4-thione
Also Known As: 2-(trifluoromethyl)quinazoline-4-thiol, 2-(trifluoromethyl)-1H-quinazoline-4-thione, 4(1H)-Quinazolinethione, 2-(trifluoromethyl)-, 2-Trifluoromethyl-quinazoline-4-thiol, 4(3H)-Quinazolinethione, 2-(trifluoromethyl)-
| Molecular Formula | C9H5F3N2S |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 3.31119 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.01256 |
| Heavy Atoms | 15 |
| Complexity | 559.02136 |
Chemical Identifiers
| CAS Number | 35982-23-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N=C(N2)C(F)(F)F |
Product Overview
2-(Trifluoromethyl)quinazoline-4-thiol (CAS 35982-23-1), with molecular formula C9H5F3N2S and molecular weight 230.01 g/mol. IUPAC: 2-(trifluoromethyl)-1H-quinazoline-4-thione.
Chemical Property Profile of 2-(Trifluoromethyl)quinazoline-4-thiol
Property Insights of 2-(Trifluoromethyl)quinazoline-4-thiol
The XLogP value of 3.31119 indicates that 2-(Trifluoromethyl)quinazoline-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-(Trifluoromethyl)quinazoline-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)quinazoline-4-thiol 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-(Trifluoromethyl)quinazoline-4-thiol?
The CAS number of 2-(Trifluoromethyl)quinazoline-4-thiol is 35982-23-1.
What is the molecular formula of 2-(Trifluoromethyl)quinazoline-4-thiol?
The molecular formula of 2-(Trifluoromethyl)quinazoline-4-thiol is C9H5F3N2S.
What is the molecular weight of 2-(Trifluoromethyl)quinazoline-4-thiol?
The molecular weight of 2-(Trifluoromethyl)quinazoline-4-thiol is 230.01 g/mol.
Where can I buy 2-(Trifluoromethyl)quinazoline-4-thiol?
You can request a quote for 2-(Trifluoromethyl)quinazoline-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)quinazoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)quinazoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.