898782-64-4
ETHYL 6-OXO-6-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
NameETHYL 6-OXO-6-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
1Identification
【Name】
ETHYL 6-OXO-6-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE
【CAS】
【MDL】
MFCD03842797
【English Synonyms】
【Formula】
C19 H27 N O3 S
【MolWeight】
349.492
【Inchi】
InChI=1S/C19H27NO3S/c1-2-23-19(22)10-6-5-9-18(21)17-8-4-3-7-16(17)15-20-11-13-24-14-12-20/h3-4,7-8H,2,5-6,9-15H2,1H3
【InChIKey】
InChIKey=SWBWHFBODKBVCH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1ccccc1CN2CCSCC2
【MOL File】
ETHYL 6-OXO-6-[2-(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-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEXANOATE.cml