TL;DR: 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline (CAS 100280-20-4) is a chemical compound with molecular formula C8H5Cl2F4NS and molecular weight 292.9456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
Also Known As: 2,3-dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline, Benzenamine, 2,3-dichloro-4-[(1,1,2,2-tetrafluoroethyl)thio]-, 2,3-DICHLORO-4-[(1,1,2,2-TETRAFLUOROETHYL)SULFANYL]ANILINE
| Molecular Formula | C8H5Cl2F4NS |
| Molecular Weight | 292.9456 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.9456 Da |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
| SMILES | C1=CC(=C(C(=C1N)Cl)Cl)SC(C(F)F)(F)F |
| InChIKey | IRODPUPOUROAOH-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 100280-20-4.
The molecular formula of 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is C8H5Cl2F4NS.
The molecular weight of 2,3-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 292.9456 g/mol.
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