180729-93-5
5,5'-DIBROMO-4,4'-DIHEXYL-2,2'-BITHIAZOLE
Name5,5'-DIBROMO-4,4'-DIHEXYL-2,2'-BITHIAZOLE
1Identification
【Name】
5,5'-DIBROMO-4,4'-DIHEXYL-2,2'-BITHIAZOLE
【CAS】
【MDL】
MFCD16621084
【English Synonyms】
【Formula】
C18 H26 Br2 N2 S2
【MolWeight】
494.357
【Inchi】
InChI=1S/C18H26Br2N2S2/c1-3-5-7-9-11-13-15(19)23-17(21-13)18-22-14(16(20)24-18)12-10-8-6-4-2/h3-12H2,1-2H3
【InChIKey】
InChIKey=CUEAYYKPBOHFDR-UHFFFAOYSA-N
【SMILES】
CCCCCCc1c(sc(n1)c2nc(c(s2)Br)CCCCCC)Br
【MOL File】
5,5'-DIBROMO-4,4'-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,5'-DIBROMO-4,4'-DIHEXYL-2,2'-BITHIAZOLE.cml