145030-91-7
1,4-DIPHENYL-2-((4,5-DIPHENYL-1H-IMIDAZOL-2-YL)THIO)-2-BUTENE-1,4-DION E
Name1,4-DIPHENYL-2-((4,5-DIPHENYL-1H-IMIDAZOL-2-YL)THIO)-2-BUTENE-1,4-DION E
1Identification
【Name】
1,4-DIPHENYL-2-((4,5-DIPHENYL-1H-IMIDAZOL-2-YL)THIO)-2-BUTENE-1,4-DION E
【CAS】
【MDL】
MFCD01656471
【English Synonyms】
【Formula】
C31 H22 N2 O2 S
【MolWeight】
486.593
【Inchi】
InChI=1S/C31H22N2O2S/c34-26(22-13-5-1-6-14-22)21-27(30(35)25-19-11-4-12-20-25)36-31-32-28(23-15-7-2-8-16-23)29(33-31)24-17-9-3-10-18-24/h1-21H,(H,32,33)/b27-21+
【InChIKey】
InChIKey=SVJJYWARJHATDN-SZXQPVLSSA-N
【SMILES】
c1ccc(cc1)c2c(nc([nH]2)S/C(=C/C(=O)c3ccccc3)/C(=O)c4ccccc4)c5ccccc5
【MOL File】
1,4-DIPHENYL-2-((4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIPHENYL-2-((4,5-DIPHENYL-1H-IMIDAZOL-2-YL)THIO)-2-BUTENE-1,4-DION E.cml