63870-45-1
5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
Name5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
FormulaC25 H29 N2 O S . I
1Identification
【Name】
5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00143410
【English Synonyms】
【Formula】
C25 H29 N2 O S . I
【MolWeight】
532.483
【Inchi】
InChI=1S/C25H29N2OS.HI/c1-6-19(16-25-27(8-3)20-11-9-10-12-23(20)29-25)15-24-26(7-2)21-13-17(4)18(5)14-22(21)28-24;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1
【InChIKey】
InChIKey=OZPMNWSLSANVJN-UHFFFAOYSA-M
【SMILES】
CC/C(=C\c1[n+](c2cc(c(cc2o1)C)C)CC)/C=C/3\N(c4ccccc4S3)CC.[I-]
【MOL File】
5,6-DIMETHYL-2-(2-(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE.cml