TL;DR: Rhodanine, 3,3'-ethylenedi- (CAS 14399-78-1) is a chemical compound with molecular formula C8H8N2O2S4 and molecular weight 291.94687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Ethylenebisrhodanine, 3,3'-Ethyl, 3,3'-Ethylenedirhodanine, N,N'-Ethylenebisrhodanine, Rhodanine, 3,3'-ethylenedi-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H8N2O2S4 |
| Molecular Weight | 291.94687 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.94687 Da |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
| SMILES | C1C(=O)N(C(=S)S1)CCN2C(=O)CSC2=S |
| InChIKey | MMOVOMSMFLJLDS-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhodanine, 3,3'-ethylenedi-. The TPSA of 155.0 Ų indicates high polarity, suggesting Rhodanine, 3,3'-ethylenedi- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhodanine, 3,3'-ethylenedi- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Rhodanine, 3,3'-ethylenedi- is 14399-78-1.
The molecular formula of Rhodanine, 3,3'-ethylenedi- is C8H8N2O2S4.
The molecular weight of Rhodanine, 3,3'-ethylenedi- is 291.94687 g/mol.
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