TL;DR: 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea (CAS 128742-31-4) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
Also Known As: 2-HYDROXY-3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE
| Molecular Formula | C15H15N3O2S |
| Molecular Weight | 301.0885 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0885 Da |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
| SMILES | COC1=CC=CC(=C1O)C=NNC(=S)NC2=CC=CC=C2 |
| InChIKey | AGFSOPAIQRPBHK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea is 128742-31-4.
The molecular formula of 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea is C15H15N3O2S.
The molecular weight of 1-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea is 301.0885 g/mol.
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