898783-39-6
ETHYL 6-OXO-6-[4-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
NameETHYL 6-OXO-6-[4-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
1Identification
【Name】
ETHYL 6-OXO-6-[4-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
【CAS】
【MDL】
MFCD03841776
【English Synonyms】
【Formula】
C19 H27 N O3 S
【MolWeight】
349.492
【Inchi】
InChI=1S/C19H27NO3S/c1-2-23-19(22)6-4-3-5-18(21)17-9-7-16(8-10-17)15-20-11-13-24-14-12-20/h7-10H,2-6,11-15H2,1H3
【InChIKey】
InChIKey=FDKFMBRWTNPATH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1ccc(cc1)CN2CCSCC2
【MOL File】
ETHYL 6-OXO-6-[4-(TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-OXO-6-[4-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE.cml