528570-55-0
2,6-DIBROMO-4,4-DIHEXYL-4H-CYCLOPENTA[2,1-B:3,4-B']DITHIOPHENE
Name2,6-DIBROMO-4,4-DIHEXYL-4H-CYCLOPENTA[2,1-B:3,4-B']DITHIOPHENE
1Identification
【Name】
2,6-DIBROMO-4,4-DIHEXYL-4H-CYCLOPENTA[2,1-B:3,4-B']DITHIOPHENE
【CAS】
【MDL】
MFCD16619321
【English Synonyms】
【Formula】
C21 H28 Br2 S2
【MolWeight】
504.392
【Inchi】
InChI=1S/C21H28Br2S2/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-13-17(22)24-19(15)20-16(21)14-18(23)25-20/h13-14H,3-12H2,1-2H3
【InChIKey】
InChIKey=IHAAYZKQSBUSEO-UHFFFAOYSA-N
【SMILES】
CCCCCCC1(c2cc(sc2-c3c1cc(s3)Br)Br)CCCCCC
【MOL File】
2,6-DIBROMO-4,4-DIHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIBROMO-4,4-DIHEXYL-4H-CYCLOPENTA[2,1-B:3,4-B']DITHIOPHENE.cml