TL;DR: N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea (CAS 13578-61-5) is a chemical compound with molecular formula C10H11F3N2OS and molecular weight 264.0544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea, 1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea, 1-(2-hydroxyethyl)-3-(3-(trifluoromethyl)phenyl)thiourea
| Molecular Formula | C10H11F3N2OS |
| Molecular Weight | 264.0544 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0544 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | C1=CC(=CC(=C1)NC(=S)NCCO)C(F)(F)F |
| InChIKey | ZAMDWYIONFWOOJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea. Following Lipinski's Rule of Five, N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is 13578-61-5.
The molecular formula of N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is C10H11F3N2OS.
The molecular weight of N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]thiourea is 264.0544 g/mol.
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