54118-16-0
3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
Name3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
pro_formulaC27 H29 N2 S2 . I
1Identification
【Name】
3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
【CAS】
【MDL】
MFCD07433779
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H29 N2 S2 . I
【pro_molWeight】
572.572
【Inchi】
InChI=1S/C27H29N2S2.HI/c1-4-28-22-10-6-8-12-24(22)30-26(28)17-20-14-19(3)15-21(16-20)18-27-29(5-2)23-11-7-9-13-25(23)31-27;/h6-13,16-19H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=FQDCJNDJNTVYEI-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2sc1/C=C/3\CC(CC(=C3)/C=C\4/N(c5ccccc5S4)CC)C.[I-]
【MOL File】
3-ETHYL-2-[(3-([3-ET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE.cml