6-Chloro-2-phenylquinazoline-4(3H)-thione
TL;DR: 6-Chloro-2-phenylquinazoline-4(3H)-thione (CAS 13961-52-9) is a chemical compound with molecular formula C14H9ClN2S and molecular weight 272.0175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-phenyl-1H-quinazoline-4-thione
Also Known As: 6-Chloro-2-phenylquinazoline-4(3H)-thione, 6-chloro-2-phenyl-1H-quinazoline-4-thione, 6-Chloro-2-phenyl-3H-quinazoline-4-thione, 6-chloro-2-phenyl-3,4-dihydroquinazoline-4-thione
Technical Specifications
| Molecular Formula | C14H9ClN2S |
| Molecular Weight | 272.0175 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0175 Da |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
| SMILES | C1=CC=C(C=C1)C2=NC(=S)C3=C(N2)C=CC(=C3)Cl |
| InChIKey | NKBWDXARFHPOHF-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-2-phenylquinazoline-4(3H)-thione
Property Insights of 6-Chloro-2-phenylquinazoline-4(3H)-thione
The XLogP value of 3.6 indicates that 6-Chloro-2-phenylquinazoline-4(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 6-Chloro-2-phenylquinazoline-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-phenylquinazoline-4(3H)-thione 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
What is the CAS number of 6-Chloro-2-phenylquinazoline-4(3H)-thione?
The CAS number of 6-Chloro-2-phenylquinazoline-4(3H)-thione is 13961-52-9.
What is the molecular formula of 6-Chloro-2-phenylquinazoline-4(3H)-thione?
The molecular formula of 6-Chloro-2-phenylquinazoline-4(3H)-thione is C14H9ClN2S.
What is the molecular weight of 6-Chloro-2-phenylquinazoline-4(3H)-thione?
The molecular weight of 6-Chloro-2-phenylquinazoline-4(3H)-thione is 272.0175 g/mol.
Where can I buy 6-Chloro-2-phenylquinazoline-4(3H)-thione?
You can request a quote for 6-Chloro-2-phenylquinazoline-4(3H)-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-2-phenylquinazoline-4(3H)-thione?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-2-phenylquinazoline-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.