TL;DR: N'-benzylidene-4-morpholinecarbothiohydrazide (CAS 168101-59-5) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzylideneamino)morpholine-4-carbothioamide
Also Known As: N'-benzylidene-4-morpholinecarbothiohydrazide, N-(benzylideneamino)morpholine-4-carbothioamide
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.09358 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09358 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | C1COCCN1C(=S)NN=CC2=CC=CC=C2 |
| InChIKey | JTDXEDKSUCAFEG-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-benzylidene-4-morpholinecarbothiohydrazide. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-benzylidene-4-morpholinecarbothiohydrazide. Following Lipinski's Rule of Five, N'-benzylidene-4-morpholinecarbothiohydrazide has 1 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'-benzylidene-4-morpholinecarbothiohydrazide is 168101-59-5.
The molecular formula of N'-benzylidene-4-morpholinecarbothiohydrazide is C12H15N3OS.
The molecular weight of N'-benzylidene-4-morpholinecarbothiohydrazide is 249.09358 g/mol.
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