502693-09-6
CIS-BIS(ISOTHIOCYANATO)(2,2'-BIPYRIDYL-4,4'-DICARBOXYLATO)(4,4'-DI-NONYL-2'-BIPYRIDYL)RUTHENIUM(II)
Name
CIS-BIS(ISOTHIOCYANATO)(2,2'-BIPYRIDYL-4,4'-DICARBOXYLATO)(4,4'-DI-NONYL-2'-BIPYRIDYL)RUTHENIUM(II)
Formula
C28 H44 N2 . C12 H8 N2 O4 . C2 N2 Ru S2
MolWeight
870.113
1Identification
【Name】
CIS-BIS(ISOTHIOCYANATO)(2,2'-BIPYRIDYL-4,4'-DICARBOXYLATO)(4,4'-DI-NONYL-2'-BIPYRIDYL)RUTHENIUM(II)
【CAS】
【MDL】
MFCD12546029
【English Synonyms】
【Formula】
C28 H44 N2 . C12 H8 N2 O4 . C2 N2 Ru S2
【MolWeight】
870.113
【Inchi】
InChI=1S/C28H44N2.C12H8N2O4.2CNS.Ru/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h19-24H,3-18H2,1-2H3;1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2
【InChIKey】
InChIKey=LALSZYPVVQFXIC-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCc1ccnc(c1)c2cc(ccn2)CCCCCCCCC.c1cnc(cc1C(=O)O)c2cc(ccn2)C(=O)O.C(=N[Ru]N=C=S)=S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-BIS(ISOTHIOCYANATO)(2,2'-BIPYRIDYL-4,4'-DICARBOXYLATO)(4,4'-DI-NONYL-2'-BIPYRIDYL)RUTHENIUM(II).cml
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