5304-18-7
2,6-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM IODIDE
Name2,6-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM IODIDE
1Identification
【Name】
2,6-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00044148
【English Synonyms】
【Formula】
C11 H14 N S . I
【MolWeight】
319.205
【Inchi】
InChI=1S/C11H14NS.HI/c1-4-12-9(3)13-11-7-8(2)5-6-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=LKTNFBVQAYVDIX-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(sc2c1ccc(c2)C)C.[I-]
【MOL File】
2,6-DIMETHYL-3-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM IODIDE.cml