2,4-Difluorothioanisole
TL;DR: 2,4-Difluorothioanisole (CAS 130922-40-6) is a chemical compound with molecular formula C7H6F2S and molecular weight 160.01582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-difluoro-1-methylsulfanylbenzene
Also Known As: 2,4-Difluorothioanisole, 2,4-Difluoro-1-(methylsulfanyl)benzene, 2,4-Difluoro thioanisole, (2,4-difluorophenyl)(methyl)sulfane, 2,4-difluoro-1-methylsulfanylbenzene
Technical Specifications
| Molecular Formula | C7H6F2S |
| Molecular Weight | 160.01582 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.01582 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | CSC1=C(C=C(C=C1)F)F |
| InChIKey | JJNSBHOSUJNKBJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Difluorothioanisole
Property Insights of 2,4-Difluorothioanisole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluorothioanisole. With a topological polar surface area (TPSA) of 25.3 Ų, 2,4-Difluorothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluorothioanisole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Difluorothioanisole?
The CAS number of 2,4-Difluorothioanisole is 130922-40-6.
What is the molecular formula of 2,4-Difluorothioanisole?
The molecular formula of 2,4-Difluorothioanisole is C7H6F2S.
What is the molecular weight of 2,4-Difluorothioanisole?
The molecular weight of 2,4-Difluorothioanisole is 160.01582 g/mol.
Where can I buy 2,4-Difluorothioanisole?
You can request a quote for 2,4-Difluorothioanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Difluorothioanisole?
Yes, CoreyChem provides custom synthesis services for 2,4-Difluorothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.