TL;DR: [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea (CAS 444938-30-1) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5-ethoxy-2-methoxyphenyl)methylideneamino]thiourea
Also Known As: 5-ethoxy-2-methoxybenzaldehyde thiosemicarbazone, [(5-ethoxy-2-methoxyphenyl)methylideneamino]thiourea
| Molecular Formula | C11H15N3O2S |
| Molecular Weight | 253.0885 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.0885 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CCOC1=CC(=C(C=C1)OC)C=NNC(=S)N |
| InChIKey | GXIUPDDERYOYER-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea has 2 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 [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea is 444938-30-1.
The molecular formula of [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea is C11H15N3O2S.
The molecular weight of [(5-Ethoxy-2-methoxyphenyl)methylideneamino]thiourea is 253.0885 g/mol.
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