54749-06-3
2,5-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM ETHYL SULFATE
Name2,5-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM ETHYL SULFATE
FormulaC11 H14 N S . C2 H5 O4 S
1Identification
【Name】
2,5-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM ETHYL SULFATE
【CAS】
【MDL】
MFCD00134771
【English Synonyms】
【Formula】
C11 H14 N S . C2 H5 O4 S
【MolWeight】
317.428
【Inchi】
InChI=1S/C11H14NS.C2H6O4S/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;1-2-6-7(3,4)5/h5-7H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=ZBBVKAMYEBNXSB-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(sc2c1cc(cc2)C)C.CCOS(=O)(=O)[O-]
【MOL File】
2,5-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
2,5-DIMETHYL-3-ETHYLBENZOTHIAZOLIUM ETHYL SULFATE.cml