3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C8H6N2O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C8H6N2O2S2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1ccco1 |
| InChI | InChI=1S/C8H6N2O2S2/c11-7-5-14-8(13)10(7)9-4-6-2-1-3-12-6/h1-4H,5H2 |
| InChIK | VTLMZXCCVUYWJY-UHFFFAOYSA-N |
| TotalMolweight | 226.28 |
| Molweight | 226.28 |
| MonoisotopicMass | 225.987068 |
| CLogP | 0.1305 |
| CLogS | -2.947 |
| H Acceptors | 4 |
| TotalSurfaceArea | 166.22 |
| Relative PSA | 0.52761 |
| PolarSurfaceArea | 103.2 |
| Druglikeness | 3.803 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off