53704-21-5
(2E)-2-[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
Name(2E)-2-[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
1Identification
【Name】
(2E)-2-[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
【CAS】
【MDL】
MFCD06409594
【English Synonyms】
【Formula】
C21 H19 N O S
【MolWeight】
333.453
【Inchi】
InChI=1S/C21H19NOS/c1-2-22-18-9-5-6-10-19(18)24-20(22)14-13-16-12-11-15-7-3-4-8-17(15)21(16)23/h3-10,13-14H,2,11-12H2,1H3/b16-13+,20-14-
【InChIKey】
InChIKey=YSUNOCYISGYCCX-SDEVTQOVSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C=C\3/CCc4ccccc4C3=O
【MOL File】
(2E)-2-[(2Z)-2-(3-ET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2E)-2-[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE.cml