898783-36-3
ETHYL 4-OXO-4-[4-(THIOMORPHOLINOMETHYL)PHENYL]BUTYRATE
NameETHYL 4-OXO-4-[4-(THIOMORPHOLINOMETHYL)PHENYL]BUTYRATE
1Identification
【Name】
ETHYL 4-OXO-4-[4-(THIOMORPHOLINOMETHYL)PHENYL]BUTYRATE
【CAS】
【MDL】
MFCD03841774
【English Synonyms】
【Formula】
C17 H23 N O3 S
【MolWeight】
321.439
【Inchi】
InChI=1S/C17H23NO3S/c1-2-21-17(20)8-7-16(19)15-5-3-14(4-6-15)13-18-9-11-22-12-10-18/h3-6H,2,7-13H2,1H3
【InChIKey】
InChIKey=FVMJETGZZPHNEA-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1ccc(cc1)CN2CCSCC2
【MOL File】
ETHYL 4-OXO-4-[4-(TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-OXO-4-[4-(THIOMORPHOLINOMETHYL)PHENYL]BUTYRATE.cml