898782-62-2
ETHYL 5-OXO-5-[2-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
NameETHYL 5-OXO-5-[2-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
1Identification
【Name】
ETHYL 5-OXO-5-[2-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
【CAS】
【MDL】
MFCD03842796
【English Synonyms】
【Formula】
C18 H25 N O3 S
【MolWeight】
335.466
【Inchi】
InChI=1S/C18H25NO3S/c1-2-22-18(21)9-5-8-17(20)16-7-4-3-6-15(16)14-19-10-12-23-13-11-19/h3-4,6-7H,2,5,8-14H2,1H3
【InChIKey】
InChIKey=JRSWBDZTMVZXSW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCC(=O)c1ccccc1CN2CCSCC2
【MOL File】
ETHYL 5-OXO-5-[2-(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 5-OXO-5-[2-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE.cml