TL;DR: 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide (CAS 141363-26-0) is a chemical compound with molecular formula C9H11N3O4S and molecular weight 257.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]thiolane 1,1-dioxide
Also Known As: 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide, 1H-Imidazole, 2-((dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-, S,S-dioxide, (2Z)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]thiolane 1,1-dioxide
| Molecular Formula | C9H11N3O4S |
| Molecular Weight | 257.04703 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.04703 Da |
| Heavy Atoms | 17 |
| Complexity | 448.0 |
| SMILES | CN1C(=CN=C1/C=C\2/CCCS2(=O)=O)[N+](=O)[O-] |
| InChIKey | TUFUEZUDDMCWCX-ALCCZGGFSA-N |
The XLogP value of -0.1 indicates that 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide. Following Lipinski's Rule of Five, 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide has 0 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 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide is 141363-26-0.
The molecular formula of 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide is C9H11N3O4S.
The molecular weight of 2-((Dihydro-2(3H)-thienylidene)methyl)-1-methyl-5-nitro-1H-imidazole S,S-dioxide is 257.04703 g/mol.
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