32835-27-1
3,3'-DIALLYLTHIOCARBOCYANINE BROMIDE
Name3,3'-DIALLYLTHIOCARBOCYANINE BROMIDE
FormulaC23 H21 N2 S2 . Br
1Identification
【Name】
3,3'-DIALLYLTHIOCARBOCYANINE BROMIDE
【CAS】
【MDL】
MFCD00050311
【English Synonyms】
【Formula】
C23 H21 N2 S2 . Br
【MolWeight】
469.469
【Inchi】
InChI=1S/C23H21N2S2.BrH/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h3-15H,1-2,16-17H2;1H/q+1;/p-1
【InChIKey】
InChIKey=YAGAKRLBKZLCNW-UHFFFAOYSA-M
【SMILES】
C=CC[n+]1c2ccccc2sc1/C=C/C=C/3\N(c4ccccc4S3)CC=C.[Br-]
【MOL File】
3,3'-DIALLYLTHIOCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-DIALLYLTHIOCARBOCYANINE BROMIDE.cml