104664-42-8
2-(CARBONYLMETHYL)-1-METHYLPYRIDINIUM IODIDE DIHEXYL MERCAPTAL
Name2-(CARBONYLMETHYL)-1-METHYLPYRIDINIUM IODIDE DIHEXYL MERCAPTAL
1Identification
【Name】
2-(CARBONYLMETHYL)-1-METHYLPYRIDINIUM IODIDE DIHEXYL MERCAPTAL
【CAS】
【MDL】
MFCD01749534
【English Synonyms】
【Formula】
C20 H34 N S2 . I
【MolWeight】
479.528
【Inchi】
InChI=1S/C20H34NS2.HI/c1-4-6-8-12-16-22-20(23-17-13-9-7-5-2)18-19-14-10-11-15-21(19)3;/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZLNNIXCZSNBPOV-UHFFFAOYSA-M
【SMILES】
CCCCCCSC(=Cc1cccc[n+]1C)SCCCCCC.[I-]
【MOL File】
2-(CARBONYLMETHYL)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CARBONYLMETHYL)-1-METHYLPYRIDINIUM IODIDE DIHEXYL MERCAPTAL.cml