TL;DR: [2-(Trifluoromethoxy)phenyl]thiourea (CAS 142229-74-1) is a chemical compound with molecular formula C8H7F3N2OS and molecular weight 236.02312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(trifluoromethoxy)phenyl]thiourea
Also Known As: 1-(2-(Trifluoromethoxy)phenyl)thiourea, [2-(trifluoromethoxy)phenyl]thiourea, Maybridge4_003549, 2-(Trifluoromethoxy)phenylthiourea, Thiourea, N-[2-(trifluoromethoxy)phenyl]-
| Molecular Formula | C8H7F3N2OS |
| Molecular Weight | 236.02312 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02312 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | C1=CC=C(C(=C1)NC(=S)N)OC(F)(F)F |
| InChIKey | HYKOSRYWIURWQI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Trifluoromethoxy)phenyl]thiourea. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Trifluoromethoxy)phenyl]thiourea. Following Lipinski's Rule of Five, [2-(Trifluoromethoxy)phenyl]thiourea has 2 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 [2-(Trifluoromethoxy)phenyl]thiourea is 142229-74-1.
The molecular formula of [2-(Trifluoromethoxy)phenyl]thiourea is C8H7F3N2OS.
The molecular weight of [2-(Trifluoromethoxy)phenyl]thiourea is 236.02312 g/mol.
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