TL;DR: Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)- (CAS 138681-61-5) is a chemical compound with molecular formula C7H13N3O2S and molecular weight 203.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine
Also Known As: Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)-, (2E)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine, (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine
| Molecular Formula | C7H13N3O2S |
| Molecular Weight | 203.07285 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.07285 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | CSCCN\1CCN/C1=C/[N+](=O)[O-] |
| InChIKey | MDEZYMCFWAWAPT-SREVYHEPSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)-. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)-. Following Lipinski's Rule of Five, Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)- has 1 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 Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)- is 138681-61-5.
The molecular formula of Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)- is C7H13N3O2S.
The molecular weight of Imidazolidine, 1-(2-(methylthio)ethyl)-2-(nitromethylene)- is 203.07285 g/mol.
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