54118-05-7
3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL-
Name
3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL-
Formula
C26 H25 N3 O S
MolWeight
427.569
1Identification
【Name】
3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL-
【CAS】
【MDL】
MFCD07433759
【English Synonyms】
【Formula】
C26 H25 N3 O S
【MolWeight】
427.569
【Inchi】
InChI=1S/C26H25N3OS/c1-3-28-22-14-7-8-15-23(22)31-24(28)17-19-10-9-11-20(16-19)25-18(2)27-29(26(25)30)21-12-5-4-6-13-21/h4-8,12-17H,3,9-11H2,1-2H3/b24-17-,25-20-
【InChIKey】
InChIKey=SMZRSLLUDOBAJR-SLPUAWSHSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=C/C(=C\4/C(=NN(C4=O)c5ccccc5)C)/CCC3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL-.cml
Quick Release
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID
749255-48-9
MBTH INDICATOR
14448-67-0 ;1128-67-2 ;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
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