9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
TL;DR: 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene (CAS 53542-48-6) is a chemical compound with molecular formula C17H13ClF4S and molecular weight 360.03625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
Also Known As: 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene, 9-6-fluoro-2-9h-thioxanthene, 9- -6-fluoro-2- -9H-thioxanthene, 9H-Thioxanthene,9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-, 258-620-4
Technical Specifications
| Molecular Formula | C17H13ClF4S |
| Molecular Weight | 360.03625 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.03625 Da |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C(C3=C(S2)C=C(C=C3)F)CCCCl |
| InChIKey | BRWGHNMSDBLZLJ-UHFFFAOYSA-N |
Chemical Property Profile of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
Property Insights of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene
The XLogP value of 6.1 indicates that 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene?
The CAS number of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene is 53542-48-6.
What is the molecular formula of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene?
The molecular formula of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene is C17H13ClF4S.
What is the molecular weight of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene?
The molecular weight of 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene is 360.03625 g/mol.
Where can I buy 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene?
You can request a quote for 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene?
Yes, CoreyChem provides custom synthesis services for 9-(3-Chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.