TL;DR: ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea (CAS 1632320-78-5) is a chemical compound with molecular formula C12H10N4O3S and molecular weight 290.04736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea
Also Known As: BAS 00246652, ({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)thiourea, [[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea, 5-(4-NITROPHENYL)-2-FURALDEHYDE THIOSEMICARBAZONE
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H10N4O3S |
| Molecular Weight | 290.04736 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.04736 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=S)N)[N+](=O)[O-] |
| InChIKey | AZTASKRPWMAJOD-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea. The TPSA of 141.0 Ų indicates high polarity, suggesting ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea is 1632320-78-5.
The molecular formula of ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea is C12H10N4O3S.
The molecular weight of ({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)thiourea is 290.04736 g/mol.
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