2-sulfanylidene-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one
Formula:C8H6N2OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-sulfanylidene-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 2-sulfanylidene-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one |
| MolecularFormula | C8H6N2OS3 |
| Smiles | O=C(CSC1=S)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C8H6N2OS3/c11-7-5-14-8(12)10(7)9-4-6-2-1-3-13-6/h1-4H,5H2 |
| InChIK | INXWYNDBNXQRKT-UHFFFAOYSA-N |
| TotalMolweight | 242.347 |
| Molweight | 242.347 |
| MonoisotopicMass | 241.964223 |
| CLogP | 0.8084 |
| CLogS | -3.275 |
| H Acceptors | 3 |
| TotalSurfaceArea | 172.47 |
| Relative PSA | 0.54473 |
| PolarSurfaceArea | 118.3 |
| Druglikeness | 5.2435 |
| Mutagenic | none |
| 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 |
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