TL;DR: N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea (CAS 118708-33-1) is a chemical compound with molecular formula C15H15N3OS and molecular weight 285.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-pyridin-2-ylethylcarbamothioyl)benzamide
Also Known As: N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea, 1-benzoyl-3-[2-(pyridin-2-yl)ethyl]thiourea, N-(2-pyridin-2-ylethylcarbamothioyl)benzamide, N-(2-pyridin-2-ylethylthiocarbamoyl)benzamide, N-[2-(2-pyridyl)ethylcarbamothioyl]benzamide
| Molecular Formula | C15H15N3OS |
| Molecular Weight | 285.0936 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0936 Da |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=N2 |
| InChIKey | OGVUIDNTSOFGOQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea. Following Lipinski's Rule of Five, N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea is 118708-33-1.
The molecular formula of N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea is C15H15N3OS.
The molecular weight of N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea is 285.0936 g/mol.
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