Allicin (also called Diallyl thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester) has the formula C6H10OS2 and a molar mass of 162.3 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 | 3-prop-2-enylsulfinylsulfanylprop-1-ene |
|---|---|
| SMILES | C=CCSS(=O)CC=C |
| PubChem CID | 65036 |
| Other names | Diallyl thiosulfinate, Thio-2-propene-1-sulfinic acid S-allyl ester, Allylthiosulphinic acid allyl ester, 3-prop-2-enylsulfinylsulfanylprop-1-ene, 2-Propene-1-sulfinothioic acid S-2-propenyl ester |
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.