TL;DR: 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one (CAS 1164508-39-7) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.02556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one
Also Known As: 2-(nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one, 2-(nitromethylene)-3-phenyl-1,3-thiazolan-4-one
| Molecular Formula | C10H8N2O3S |
| Molecular Weight | 236.02556 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.02556 Da |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
| SMILES | C1C(=O)N(C(=C[N+](=O)[O-])S1)C2=CC=CC=C2 |
| InChIKey | WZAJGYJJKCRCCZ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one has 0 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-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one is 1164508-39-7.
The molecular formula of 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one is C10H8N2O3S.
The molecular weight of 2-(Nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one is 236.02556 g/mol.
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