(5E)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C12H11NO3S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C12H11NO3S4 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C12H11NO3S4/c14-11-10(6-9-2-1-4-18-9)19-12(17)13(11)8-3-5-20(15,16)7-8/h1-2,4,6,8H,3,5,7H2/t8-/m1/s1 |
| InChIK | JKCQEAOLCMVAGR-MRVPVSSYSA-N |
| TotalMolweight | 345.487 |
| Molweight | 345.487 |
| MonoisotopicMass | 344.962174 |
| CLogP | 0.6274 |
| CLogS | -3.692 |
| H Acceptors | 4 |
| TotalSurfaceArea | 227.52 |
| Relative PSA | 0.48796 |
| PolarSurfaceArea | 148.46 |
| Druglikeness | 0.76338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5E)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
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