(5E)-5-benzylidene-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H13NO3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H13NO3S3 |
| Smiles | O=C(/C(/S1)=C\c2ccccc2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C14H13NO3S3/c16-13-12(8-10-4-2-1-3-5-10)20-14(19)15(13)11-6-7-21(17,18)9-11/h1-5,8,11H,6-7,9H2/t11-/m1/s1 |
| InChIK | DFAPKTUAYLACDN-LLVKDONJSA-N |
| TotalMolweight | 339.459 |
| Molweight | 339.459 |
| MonoisotopicMass | 339.005754 |
| CLogP | 0.7608 |
| CLogS | -3.682 |
| H Acceptors | 4 |
| TotalSurfaceArea | 231.58 |
| Relative PSA | 0.39148 |
| PolarSurfaceArea | 120.22 |
| Druglikeness | -0.74126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-5-benzylidene-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-benzylidene-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
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