[(Z)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]thiourea
Formula:C8H9N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]thiourea |
| MolecularFormula | C8H9N3S2 |
| Smiles | NC(N/N=C\C=C\c1cccs1)=S |
| InChI | InChI=1S/C8H9N3S2/c9-8(12)11-10-5-1-3-7-4-2-6-13-7/h1-6H,(H3,9,11,12) |
| InChIK | WGAGEEUNYOMCDP-UHFFFAOYSA-N |
| TotalMolweight | 211.312 |
| Molweight | 211.312 |
| MonoisotopicMass | 211.023787 |
| CLogP | 1.4169 |
| CLogS | -3.2 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 173.15 |
| Relative PSA | 0.50014 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | 4.1797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [(Z)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]thiourea | 2 - [(Z)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]thiourea
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