TL;DR: 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide (CAS 118222-27-8) is a chemical compound with molecular formula C14H20N4O2S and molecular weight 308.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-morpholin-4-ylpropanoylamino)-3-phenylthiourea
Also Known As: 1-(3-morpholin-4-ylpropanoylamino)-3-phenyl-thiourea, 1-(3-morpholin-4-ylpropanoylamino)-3-phenylthiourea, 2-(3-morpholinopropanoyl)-N-phenylhydrazinecarbothioamide, 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide
| Molecular Formula | C14H20N4O2S |
| Molecular Weight | 308.1307 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 97.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.1307 Da |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
| SMILES | C1COCCN1CCC(=O)NNC(=S)NC2=CC=CC=C2 |
| InChIKey | XHPIBUKALTXCLE-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide 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 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide is 118222-27-8.
The molecular formula of 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide is C14H20N4O2S.
The molecular weight of 2-[3-(4-morpholinyl)propanoyl]-N-phenylhydrazinecarbothioamide is 308.1307 g/mol.
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