52231-50-2
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
Name2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
1Identification
【Name】
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
【CAS】
【MDL】
MFCD06409848
【English Synonyms】
【Formula】
C17 H21 N2 S . I
【MolWeight】
412.333
【Inchi】
InChI=1S/C17H21N2S.HI/c1-4-19-15-11-8-9-12-16(15)20-17(19)13-7-5-6-10-14-18(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=DJZDZSLREVTUCL-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2sc1/C=C/C=C/C=C/N(C)C.[I-]
【MOL File】
2-[(1E,3E,5E)-6-(DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE.cml