54254-80-7
1-METHYL-2-(2-(METHYLTHIO)-2-(4-MORPHOLINYL)ETHENYL)PYRIDINIUM IODIDE
Name1-METHYL-2-(2-(METHYLTHIO)-2-(4-MORPHOLINYL)ETHENYL)PYRIDINIUM IODIDE
FormulaC13 H19 N2 O S . I
1Identification
【Name】
1-METHYL-2-(2-(METHYLTHIO)-2-(4-MORPHOLINYL)ETHENYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD01690988
【English Synonyms】
【Formula】
C13 H19 N2 O S . I
【MolWeight】
378.272
【Inchi】
InChI=1S/C13H19N2OS.HI/c1-14-6-4-3-5-12(14)11-13(17-2)15-7-9-16-10-8-15;/h3-6,11H,7-10H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZJCMAULNLLCUMK-UHFFFAOYSA-M
【SMILES】
C[n+]1ccccc1/C=C(\N2CCOCC2)/SC.[I-]
【MOL File】
1-METHYL-2-(2-(METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-2-(2-(METHYLTHIO)-2-(4-MORPHOLINYL)ETHENYL)PYRIDINIUM IODIDE.cml