3-thiophen-2-yl-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Formula:C11H8N4S3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
3-thiophen-2-yl-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.
| MolName | 3-thiophen-2-yl-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione |
| MolecularFormula | C11H8N4S3 |
| Smiles | S=C(NN=C1c2cccs2)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C11H8N4S3/c16-11-14-13-10(9-4-2-6-18-9)15(11)12-7-8-3-1-5-17-8/h1-7H,(H,14,16) |
| InChIK | BBSKPRBMKRPTOV-UHFFFAOYSA-N |
| TotalMolweight | 292.411 |
| Molweight | 292.411 |
| MonoisotopicMass | 291.991106 |
| CLogP | 3.0282 |
| CLogS | -4.471 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.6 |
| Relative PSA | 0.49977 |
| PolarSurfaceArea | 128.56 |
| Druglikeness | 5.2965 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
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