107535-23-9
1-METHYL-2-((BENZYLTHIO)(HYDROXYIMINO)METHYL)PYRIDINIUM IODIDE
Name1-METHYL-2-((BENZYLTHIO)(HYDROXYIMINO)METHYL)PYRIDINIUM IODIDE
FormulaC14 H15 N2 O S . I
1Identification
【Name】
1-METHYL-2-((BENZYLTHIO)(HYDROXYIMINO)METHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD01691016
【English Synonyms】
【Formula】
C14 H15 N2 O S . I
【MolWeight】
386.251
【Inchi】
InChI=1S/C14H14N2OS.HI/c1-16-10-6-5-9-13(16)14(15-17)18-11-12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H
【InChIKey】
InChIKey=FPFTXRNDHWNBJZ-UHFFFAOYSA-N
【SMILES】
C[n+]1ccccc1/C(=N\O)/SCc2ccccc2.[I-]
【MOL File】
1-METHYL-2-((BENZYLT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-2-((BENZYLTHIO)(HYDROXYIMINO)METHYL)PYRIDINIUM IODIDE.cml