866153-23-3
DIETHYL 2-[(2-FLUOROANILINO)((2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL)SULFANYL)METHYLENE]MALONATE
NameDIETHYL 2-[(2-FLUOROANILINO)((2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL)SULFANYL)METHYLENE]MALONATE
1Identification
【Name】
DIETHYL 2-[(2-FLUOROANILINO)((2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL)SULFANYL)METHYLENE]MALONATE
【CAS】
【MDL】
MFCD05669462
【English Synonyms】
【Formula】
C23 H21 F4 N O5 S
【MolWeight】
499.479
【Inchi】
InChI=1S/C23H21F4NO5S/c1-3-32-21(30)19(22(31)33-4-2)20(28-17-8-6-5-7-16(17)24)34-13-18(29)14-9-11-15(12-10-14)23(25,26)27/h5-12,28H,3-4,13H2,1-2H3
【InChIKey】
InChIKey=GTDUDVXEYIDPSR-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=C(Nc1ccccc1F)SCC(=O)c2ccc(cc2)C(F)(F)F)C(=O)OCC
【MOL File】
DIETHYL 2-[(2-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 2-[(2-FLUOROANILINO)((2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL)SULFANYL)METHYLENE]MALONATE.cml