898783-38-5
ETHYL 5-OXO-5-[4-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
NameETHYL 5-OXO-5-[4-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
1Identification
【Name】
ETHYL 5-OXO-5-[4-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE
【CAS】
【MDL】
MFCD03841775
【English Synonyms】
【Formula】
C18 H25 N O3 S
【MolWeight】
335.466
【Inchi】
InChI=1S/C18H25NO3S/c1-2-22-18(21)5-3-4-17(20)16-8-6-15(7-9-16)14-19-10-12-23-13-11-19/h6-9H,2-5,10-14H2,1H3
【InChIKey】
InChIKey=SQPFTGXBNUGMKG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCC(=O)c1ccc(cc1)CN2CCSCC2
【MOL File】
ETHYL 5-OXO-5-[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 5-OXO-5-[4-(THIOMORPHOLINOMETHYL)PHENYL]VALERATE.cml