55952-69-7
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
Name
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
pro_formula
C21 H22 N2 O2 S
pro_molWeight
366.483
1Identification
【Name】
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER
【CAS】
【MDL】
MFCD06409544
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H22 N2 O2 S
【pro_molWeight】
366.483
【Inchi】
InChI=1S/C21H22N2O2S/c1-3-23-18-10-5-6-11-19(18)26-20(23)13-15-8-7-9-16(12-15)17(14-22)21(24)25-4-2/h5-6,10-13H,3-4,7-9H2,1-2H3/b17-16-,20-13-
【InChIKey】
InChIKey=KXGCKPUNMSDUSM-FVCYYYLCSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=C/C(=C(/C#N)\C(=O)OCC)/CCC3
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ACETIC ACID, CYANO[3-[[3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTER.cml
quick_release
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID
749255-48-9
MBTH INDICATOR
1128-67-2 ;14448-67-0 ;38894-11-0
(2E)-3-METHYL-1,3-BENZOTHIAZOL-2(3H)-ONE HYDRAZONE
38894-11-0
2-CYANO-2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETAMIDE
126772-94-9
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-HYDRAZINECARBOXALDEHYDE
753028-42-1
2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYCLOPENTANONE
80419-42-7
SuppliersList
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(2E)-3-METHYL-1,3-BENZOTHIAZOL-2(3H)-ONE HYDRAZONE
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