898783-41-0
ETHYL 8-OXO-8-[4-(THIOMORPHOLINOMETHYL)PHENYL]OCTANOATE
NameETHYL 8-OXO-8-[4-(THIOMORPHOLINOMETHYL)PHENYL]OCTANOATE
1Identification
【Name】
ETHYL 8-OXO-8-[4-(THIOMORPHOLINOMETHYL)PHENYL]OCTANOATE
【CAS】
【MDL】
MFCD03841778
【English Synonyms】
【Formula】
C21 H31 N O3 S
【MolWeight】
377.546
【Inchi】
InChI=1S/C21H31NO3S/c1-2-25-21(24)8-6-4-3-5-7-20(23)19-11-9-18(10-12-19)17-22-13-15-26-16-14-22/h9-12H,2-8,13-17H2,1H3
【InChIKey】
InChIKey=YPGCXTFFQJDWOK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCCC(=O)c1ccc(cc1)CN2CCSCC2
【MOL File】
ETHYL 8-OXO-8-[4-(TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 8-OXO-8-[4-(THIOMORPHOLINOMETHYL)PHENYL]OCTANOATE.cml