55911-29-0
2-(6-METHOXYBENZOFURAN-2-YL)-1,3-DIMETHYL-5-(METHYLSULPHONYL)-1H-BENZIMIDAZOLIUM METHYL SULPHATE
Name2-(6-METHOXYBENZOFURAN-2-YL)-1,3-DIMETHYL-5-(METHYLSULPHONYL)-1H-BENZIMIDAZOLIUM METHYL SULPHATE
FormulaC19 H19 N2 O4 S . C H3 O4 S
1Identification
【Name】
2-(6-METHOXYBENZOFURAN-2-YL)-1,3-DIMETHYL-5-(METHYLSULPHONYL)-1H-BENZIMIDAZOLIUM METHYL SULPHATE
【CAS】
【MDL】
MFCD21609219
【English Synonyms】
【Formula】
C19 H19 N2 O4 S . C H3 O4 S
【MolWeight】
482.532
【Inchi】
InChI=1S/C19H19N2O4S.CH4O4S/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
【InChIKey】
InChIKey=AGPWMSCUFHBFPY-UHFFFAOYSA-M
【SMILES】
Cn1c2ccc(cc2[n+](c1c3cc4ccc(cc4o3)OC)C)S(=O)(=O)C.COS(=O)(=O)[O-]
【MOL File】
2-(6-METHOXYBENZOFUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(6-METHOXYBENZOFURAN-2-YL)-1,3-DIMETHYL-5-(METHYLSULPHONYL)-1H-BENZIMIDAZOLIUM METHYL SULPHATE.cml