(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
Formula:C8H6N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one |
| MolecularFormula | C8H6N2OS2 |
| Smiles | O=C(/C(/N1)=C/c2cscc2)NC1=S |
| InChI | InChI=1S/C8H6N2OS2/c11-7-6(9-8(12)10-7)3-5-1-2-13-4-5/h1-4H,(H2,9,10,11,12) |
| InChIK | BOKKBYFFNHWOJO-UHFFFAOYSA-N |
| TotalMolweight | 210.281 |
| Molweight | 210.281 |
| MonoisotopicMass | 209.992153 |
| CLogP | 1.0132 |
| CLogS | -2.72 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 153.79 |
| Relative PSA | 0.54828 |
| PolarSurfaceArea | 101.46 |
| Druglikeness | 2.6725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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