3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H6N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H6N2OCl2S2 |
| Smiles | O=C(CSC1=S)N1N=Cc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C10H6Cl2N2OS2/c11-7-2-1-3-8(12)6(7)4-13-14-9(15)5-17-10(14)16/h1-4H,5H2 |
| InChIK | XWUYNJLIOLEFCM-UHFFFAOYSA-N |
| TotalMolweight | 305.209 |
| Molweight | 305.209 |
| MonoisotopicMass | 303.929857 |
| CLogP | 2.1538 |
| CLogS | -4.737 |
| H Acceptors | 3 |
| TotalSurfaceArea | 207.37 |
| Relative PSA | 0.35487 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.8236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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