TL;DR: 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide (CAS 39978-42-2) is a chemical compound with molecular formula C12H8N4O6S and molecular weight 336.01645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]thiophene-2-carboxamide
Also Known As: Nifurzide, Ricridene, 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide, 2-Thiophenecarboxylic acid, 5-nitro-, 2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H8N4O6S |
| Molecular Weight | 336.01645 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01645 Da |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)C2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | IDUMOVRJNBNOTR-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide. The TPSA of 174.0 Ų indicates high polarity, suggesting 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide is 39978-42-2.
The molecular formula of 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide is C12H8N4O6S.
The molecular weight of 5-nitro-N'-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide is 336.01645 g/mol.
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