2197-01-5
3,3'-DIETHYLTHIACYANINE IODIDE
Name3,3'-DIETHYLTHIACYANINE IODIDE
1Identification
【Name】
3,3'-DIETHYLTHIACYANINE IODIDE
【CAS】
【MDL】
MFCD00050309
【English Synonyms】
【Formula】
C19 H19 N2 S2 . I
【MolWeight】
466.405
【Inchi】
InChI=1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=XWUVSDMFUQTKQC-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2sc1/C=C\3/N(c4ccccc4S3)CC.[I-]
【MOL File】
3,3'-DIETHYLTHIACYAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-DIETHYLTHIACYANINE IODIDE.cml