(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C8H4NOBrS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C8H4NOBrS3 |
| Smiles | O=C(/C(/S1)=C\c2cc(Br)cs2)NC1=S |
| InChI | InChI=1S/C8H4BrNOS3/c9-4-1-5(13-3-4)2-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12) |
| InChIK | GNMIZFDTQTZKRL-UHFFFAOYSA-N |
| TotalMolweight | 306.228 |
| Molweight | 306.228 |
| MonoisotopicMass | 304.863835 |
| CLogP | 1.736 |
| CLogS | -4.344 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 178.45 |
| Relative PSA | 0.5063 |
| PolarSurfaceArea | 114.73 |
| Druglikeness | -3.0189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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