54646-38-7
1-ETHYL-2-(5-(1-ETHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PENTA-1,3-DIEN-1-YL)-1,3-BENZTHIAZOLIUM-CHLORIDE
Name
1-ETHYL-2-(5-(1-ETHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PENTA-1,3-DIEN-1-YL)-1,3-BENZTHIAZOLIUM-CHLORIDE
pro_formula
C23 H23 N2 S2 . Cl
pro_molWeight
427.034
1Identification
【Name】
1-ETHYL-2-(5-(1-ETHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PENTA-1,3-DIEN-1-YL)-1,3-BENZTHIAZOLIUM-CHLORIDE
【CAS】
【MDL】
MFCD00142617
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H23 N2 S2 . Cl
【pro_molWeight】
427.034
【Inchi】
InChI=1S/C23H23N2S2.ClH/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=YKJIWQOIXAXDTR-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2sc1/C=C/C=C/C=C/3\N(c4ccccc4S3)CC.[Cl-]
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-ETHYL-2-(5-(1-ETHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PENTA-1,3-DIEN-1-YL)-1,3-BENZTHIAZOLIUM-CHLORIDE.cml
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