118948-02-0
ETHYL [(5-CYANO-2,3'-BIPYRIDIN-6-YL)THIO]ACETATE
NameETHYL [(5-CYANO-2,3'-BIPYRIDIN-6-YL)THIO]ACETATE
1Identification
【Name】
ETHYL [(5-CYANO-2,3'-BIPYRIDIN-6-YL)THIO]ACETATE
【CAS】
【MDL】
MFCD00487177
【English Synonyms】
【Formula】
C15 H13 N3 O2 S
【MolWeight】
299.353
【Inchi】
InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-21-15-11(8-16)5-6-13(18-15)12-4-3-7-17-9-12/h3-7,9H,2,10H2,1H3
【InChIKey】
InChIKey=WVPKEYQYFBTNPC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1c(ccc(n1)c2cccnc2)C#N
【MOL File】
ETHYL [(5-CYANO-2,3'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL [(5-CYANO-2,3'-BIPYRIDIN-6-YL)THIO]ACETATE.cml