64415-17-4
2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM METHYLSULFATE
Name2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM METHYLSULFATE
FormulaC13 H12 N S . C H3 O4 S
1Identification
【Name】
2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM METHYLSULFATE
【CAS】
【MDL】
MFCD00604804
【English Synonyms】
【Formula】
C13 H12 N S . C H3 O4 S
【MolWeight】
325.408
【Inchi】
InChI=1S/C13H12NS.CH4O4S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
【InChIKey】
InChIKey=WDNJSOGMYXBSIC-UHFFFAOYSA-M
【SMILES】
Cc1[n+](c2c3ccccc3ccc2s1)C.COS(=O)(=O)[O-]
【MOL File】
2,3-DIMETHYLNAPHTHO[….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
2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM METHYLSULFATE.cml