TL;DR: (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CAS 131536-27-1) is a chemical compound with molecular formula C12H11ClN2OS and molecular weight 266.02808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
Also Known As: (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one, IDI1_022917, (Z)-5-(4-chlorobenzylidene)-1,3-dimethyl-2-thioxoimidazolidin-4-one, F0919-4622, AN-940/15469002
| Molecular Formula | C12H11ClN2OS |
| Molecular Weight | 266.02808 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.02808 Da |
| Heavy Atoms | 17 |
| Complexity | 375.0 |
| SMILES | CN1/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N(C1=S)C |
| InChIKey | RFMQNBQSQSXIDD-YFHOEESVSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one. With a topological polar surface area (TPSA) of 55.6 Ų, (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is 131536-27-1.
The molecular formula of (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is C12H11ClN2OS.
The molecular weight of (5Z)-5-[(4-chlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is 266.02808 g/mol.
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