88340-84-5
(2E,5Z)-2-[(DIMETHYLAMINO)METHYLENE]-5-[(2E)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]CYCLOPENTANONE
Name(2E,5Z)-2-[(DIMETHYLAMINO)METHYLENE]-5-[(2E)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]CYCLOPENTANONE
1Identification
【Name】
(2E,5Z)-2-[(DIMETHYLAMINO)METHYLENE]-5-[(2E)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]CYCLOPENTANONE
【CAS】
【MDL】
MFCD06409660
【English Synonyms】
【Formula】
C19 H22 N2 O S
【MolWeight】
326.462
【Inchi】
InChI=1S/C19H22N2OS/c1-4-21-16-7-5-6-8-17(16)23-18(21)12-11-14-9-10-15(19(14)22)13-20(2)3/h5-8,11-13H,4,9-10H2,1-3H3/b14-11-,15-13+,18-12+
【InChIKey】
InChIKey=HXTIPBPALYEUDT-LENTZWJCSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C/C=C\3/CC/C(=C\N(C)C)/C3=O
【MOL File】
(2E,5Z)-2-[(DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2E,5Z)-2-[(DIMETHYLAMINO)METHYLENE]-5-[(2E)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]CYCLOPENTANONE.cml