43061-75-2
2-(2'-ACETANILINO)VINYL-3-ETHYL-BENZOTHIAZOLIUM IODIDE
Name2-(2'-ACETANILINO)VINYL-3-ETHYL-BENZOTHIAZOLIUM IODIDE
FormulaC19 H19 N2 O S . I
1Identification
【Name】
2-(2'-ACETANILINO)VINYL-3-ETHYL-BENZOTHIAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00142721
【English Synonyms】
【Formula】
C19 H19 N2 O S . I
【MolWeight】
450.338
【Inchi】
InChI=1S/C19H18N2OS.HI/c1-3-21-17-10-6-7-11-18(17)23-19(21)12-13-20-16-9-5-4-8-15(16)14(2)22;/h4-13H,3H2,1-2H3;1H
【InChIKey】
InChIKey=ZUIYIXDMQMLVSN-UHFFFAOYSA-N
【SMILES】
CC[n+]1c2ccccc2sc1/C=C/Nc3ccccc3C(=O)C.[I-]
【MOL File】
2-(2'-ACETANILINO)VI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2'-ACETANILINO)VINYL-3-ETHYL-BENZOTHIAZOLIUM IODIDE.cml