71314-98-2
QUINOLINIUM, 8-(2-(BUTYLTHIO)ETHOXY)-1-METHYL-, IODIDE
NameQUINOLINIUM, 8-(2-(BUTYLTHIO)ETHOXY)-1-METHYL-, IODIDE
1Identification
【Name】
QUINOLINIUM, 8-(2-(BUTYLTHIO)ETHOXY)-1-METHYL-, IODIDE
【CAS】
【MDL】
MFCD01685286
【English Synonyms】
【Formula】
C16 H22 N O S . I
【MolWeight】
403.322
【Inchi】
InChI=1S/C16H22NOS.HI/c1-3-4-12-19-13-11-18-15-9-5-7-14-8-6-10-17(2)16(14)15;/h5-10H,3-4,11-13H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=YRSPUJFTAKISGE-UHFFFAOYSA-M
【SMILES】
CCCCSCCOc1cccc2c1[n+](ccc2)C.[I-]
【MOL File】
QUINOLINIUM, 8-(2-(B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
QUINOLINIUM, 8-(2-(BUTYLTHIO)ETHOXY)-1-METHYL-, IODIDE.cml