[(Z)-3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propylideneamino]thiourea
Formula:C11H12N4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propylideneamino]thiourea |
| MolecularFormula | C11H12N4S3 |
| Smiles | NC(N/N=C\CCN(c(cccc1)c1S1)C1=S)=S |
| InChI | InChI=1S/C11H12N4S3/c12-10(16)14-13-6-3-7-15-8-4-1-2-5-9(8)18-11(15)17/h1-2,4-6H,3,7H2,(H3,12,14,16) |
| InChIK | JTONUEIHDYZMOY-UHFFFAOYSA-N |
| TotalMolweight | 296.442 |
| Molweight | 296.442 |
| MonoisotopicMass | 296.022406 |
| CLogP | 0.3385 |
| CLogS | -4.58 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 225.23 |
| Relative PSA | 0.51183 |
| PolarSurfaceArea | 143.13 |
| Druglikeness | 4.0828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propylideneamino]thiourea | 2 - [(Z)-3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off