102571-37-9
(2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTOXYMETHYLAMMONIUM IODIDE
Name(2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTOXYMETHYLAMMONIUM IODIDE
FormulaC17 H28 N3 O S . I
1Identification
【Name】
(2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTOXYMETHYLAMMONIUM IODIDE
【CAS】
【MDL】
MFCD01674617
【English Synonyms】
【Formula】
C17 H28 N3 O S . I
【MolWeight】
449.394
【Inchi】
InChI=1S/C17H28N3OS.HI/c1-4-5-6-7-8-9-12-21-14-20(2,3)15-10-11-16-17(13-15)19-22-18-16;/h10-11,13H,4-9,12,14H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=BCMUOJDUDQXYSQ-UHFFFAOYSA-M
【SMILES】
CCCCCCCCOC[N+](C)(C)c1ccc2c(c1)N=S=N2.[I-]
【MOL File】
(2,1,3-BENZOTHIA(S I….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTOXYMETHYLAMMONIUM IODIDE.cml