HIT ID: HIT212693131
Cas No: 15398-83-1
分子式: C16H12N2S2
分子量: 296.41
常用名: MRS2567
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 6.553259
IUPAC: 1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
IUPAC: 1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
SMILES: S=C=Nc1ccc(CCc2ccc(cc2)N=C=S)cc1
SMILES: S=C=Nc1ccc(CCc2ccc(cc2)N=C=S)cc1
InChI key: KGPFLJVFCCOOEO-UHFFFAOYSA-N