TL;DR: 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone (CAS 119033-86-2) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-furan-2-ylmethylideneamino]-3-(4-methoxyphenyl)thiourea
Also Known As: 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone, Semicarbazide, 1-(2-furfurylidene)-4-(p-methoxyphenyl)-3-thio-, Hydrazinecarbothioamide, 2-(2-furanylmethylene)-N-(4-methoxyphenyl)-, 1-[(E)-furan-2-ylmethylideneamino]-3-(4-methoxyphenyl)thiourea, (2E)-2-(furan-2-ylmethylidene)-N-(4-methoxyphenyl)hydrazinecarbothioamide
| Molecular Formula | C13H13N3O2S |
| Molecular Weight | 275.07285 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07285 Da |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
| SMILES | COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2 |
| InChIKey | CVZSXHJACQGDDB-NTEUORMPSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone. Following Lipinski's Rule of Five, 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone 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 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone is 119033-86-2.
The molecular formula of 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone is C13H13N3O2S.
The molecular weight of 2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone is 275.07285 g/mol.
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