126484-15-9
(1-ETHYL-5-(ETHYLTHIO)-2-PHENYL-1H-IMIDAZOL-4-YL)TRIPHENYLPHOSPHONIUM BROMIDE
Name(1-ETHYL-5-(ETHYLTHIO)-2-PHENYL-1H-IMIDAZOL-4-YL)TRIPHENYLPHOSPHONIUM BROMIDE
FormulaC31 H30 N2 P S . Br
1Identification
【Name】
(1-ETHYL-5-(ETHYLTHIO)-2-PHENYL-1H-IMIDAZOL-4-YL)TRIPHENYLPHOSPHONIUM BROMIDE
【CAS】
【MDL】
MFCD01748252
【English Synonyms】
【Formula】
C31 H30 N2 P S . Br
【MolWeight】
573.536
【Inchi】
InChI=1S/C31H30N2PS.BrH/c1-3-33-29(25-17-9-5-10-18-25)32-30(31(33)35-4-2)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24H,3-4H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=OFZIBYMQBBXVAN-UHFFFAOYSA-M
【SMILES】
CCn1c(c(nc1c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5)SCC.[Br-]
【MOL File】
(1-ETHYL-5-(ETHYLTHI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-ETHYL-5-(ETHYLTHIO)-2-PHENYL-1H-IMIDAZOL-4-YL)TRIPHENYLPHOSPHONIUM BROMIDE.cml