[(E)-(5-bromothiophen-2-yl)methylideneamino]thiourea
Formula:C6H6N3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(5-bromothiophen-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-(5-bromothiophen-2-yl)methylideneamino]thiourea |
| MolecularFormula | C6H6N3BrS2 |
| Smiles | NC(N/N=C/c(s1)ccc1Br)=S |
| InChI | InChI=1S/C6H6BrN3S2/c7-5-2-1-4(12-5)3-9-10-6(8)11/h1-3H,(H3,8,10,11) |
| InChIK | YNGNVBDKJLKURJ-UHFFFAOYSA-N |
| TotalMolweight | 264.171 |
| Molweight | 264.171 |
| MonoisotopicMass | 262.918648 |
| CLogP | 2.3285 |
| CLogS | -3.759 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 165.28 |
| Relative PSA | 0.52396 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | 0.40098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(5-bromothiophen-2-yl)methylideneamino]thiourea | 2 - [(E)-(5-bromothiophen-2-yl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off