Sulforaphane (also called Sulforafan, Sulphoraphane) has the formula C6H11NOS2 and a molar mass of 177.3 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.
Explore in 3D Space-filling model PubChem
| IUPAC name | 1-isothiocyanato-4-methylsulfinylbutane |
|---|---|
| SMILES | CS(=O)CCCCN=C=S |
| PubChem CID | 5350 |
| Other names | Sulforafan, Sulphoraphane, 1-isothiocyanato-4-methylsulfinylbutane, Sulfaforaphane, 1-isothiocyanato-4-methylsulphinylbutane |
Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.
3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.