HIT ID: HIT214421817
Cas No: 4478-93-7;142825-10-3
分子式: C6H11NOS2
分子量: 177.28
常用名: Sulforaphane
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 0.152
IUPAC: 1-isothiocyanato-4-methanesulfinylbutane
IUPAC: 1-isothiocyanato-4-methanesulfinylbutane
SMILES: CS(=O)CCCCN=C=S
SMILES: CS(=O)CCCCN=C=S
InChI key: SUVMJBTUFCVSAD-UHFFFAOYSA-N