[(Z)-1-benzothiophen-3-ylmethylideneamino]thiourea
Formula:C10H9N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1-benzothiophen-3-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-1-benzothiophen-3-ylmethylideneamino]thiourea |
| MolecularFormula | C10H9N3S2 |
| Smiles | NC(N/N=C\c1csc2c1cccc2)=S |
| InChI | InChI=1S/C10H9N3S2/c11-10(14)13-12-5-7-6-15-9-4-2-1-3-8(7)9/h1-6H,(H3,11,13,14) |
| InChIK | LRMFGTJOVARAHX-UHFFFAOYSA-N |
| TotalMolweight | 235.334 |
| Molweight | 235.334 |
| MonoisotopicMass | 235.023787 |
| CLogP | 2.371 |
| CLogS | -4.137 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 181.25 |
| Relative PSA | 0.47779 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | 2.9247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| StereoCon |
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