TL;DR: 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide (CAS 1037970-12-9) is a chemical compound with molecular formula C8H6ClF3N2OS and molecular weight 269.98416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
Also Known As: 2-[[3-Chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
| Molecular Formula | C8H6ClF3N2OS |
| Molecular Weight | 269.98416 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.98416 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | C1=C(C=NC(=C1Cl)SCC(=O)N)C(F)(F)F |
| InChIKey | GTMNBOUQXASZBY-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide. Following Lipinski's Rule of Five, 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide 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-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide is 1037970-12-9.
The molecular formula of 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide is C8H6ClF3N2OS.
The molecular weight of 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide is 269.98416 g/mol.
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