{"PropertyTable":{"Properties":[{"CID":5350,"MolecularFormula":"C6H11NOS2","MolecularWeight":"177.3","SMILES":"CS(=O)CCCCN=C=S","ConnectivitySMILES":"CS(=O)CCCCN=C=S","InChI":"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3","InChIKey":"SUVMJBTUFCVSAD-UHFFFAOYSA-N","ExactMass":"177.02820632","MonoisotopicMass":"177.02820632","TPSA":80.7,"Charge":0,"HBondDonorCount":0,"HBondAcceptorCount":4,"RotatableBondCount":5,"HeavyAtomCount":10,"Title":"Sulforaphane"}]}}