3-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C8H5N2OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C8H5N2OClS3 |
| Smiles | O=C(CSC1=S)N1/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C8H5ClN2OS3/c9-6-2-1-5(15-6)3-10-11-7(12)4-14-8(11)13/h1-3H,4H2 |
| InChIK | QUKKUCBDZCSTAS-UHFFFAOYSA-N |
| TotalMolweight | 276.792 |
| Molweight | 276.792 |
| MonoisotopicMass | 275.92525 |
| CLogP | 1.6191 |
| CLogS | -4.028 |
| H Acceptors | 3 |
| TotalSurfaceArea | 187.89 |
| Relative PSA | 0.50003 |
| PolarSurfaceArea | 118.3 |
| Druglikeness | 4.9122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 3-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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