1,3-bis[(Z)-thiophen-2-ylmethylideneamino]thiourea
Formula:C11H10N4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3-bis[(Z)-thiophen-2-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-thiophen-2-ylmethylideneamino]thiourea |
| MolecularFormula | C11H10N4S3 |
| Smiles | S=C(N/N=C\c1cccs1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H10N4S3/c16-11(14-12-7-9-3-1-5-17-9)15-13-8-10-4-2-6-18-10/h1-8H,(H2,14,15,16) |
| InChIK | NLVSQWCSDRRMRQ-UHFFFAOYSA-N |
| TotalMolweight | 294.426 |
| Molweight | 294.426 |
| MonoisotopicMass | 294.006756 |
| CLogP | 3.7199 |
| CLogS | -4.934 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 230.05 |
| Relative PSA | 0.49841 |
| PolarSurfaceArea | 137.35 |
| Druglikeness | 4.0103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
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