[(Z)-thiophen-3-ylmethylideneamino]thiourea
Formula:C6H7N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-thiophen-3-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-thiophen-3-ylmethylideneamino]thiourea |
| MolecularFormula | C6H7N3S2 |
| Smiles | NC(N/N=C\c1cscc1)=S |
| InChI | InChI=1S/C6H7N3S2/c7-6(10)9-8-3-5-1-2-11-4-5/h1-4H,(H3,7,9,10) |
| InChIK | ZSSANNLIWCSLCB-UHFFFAOYSA-N |
| TotalMolweight | 185.275 |
| Molweight | 185.275 |
| MonoisotopicMass | 185.008137 |
| CLogP | 1.3164 |
| CLogS | -2.798 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 146.65 |
| Relative PSA | 0.59052 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | 2.9346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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