Cis-bis(isothiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylato)( 4,4'-bis(5-(hexylthio)thiophen-2-yl)-2,2'-bipyridyl)ruthenium(II)

Catalog Number	ACM1152310694-3
CAS	1152310-69-4
Structure
Synonyms	Ruthenate(2-), [[2,2'-bipyridine]-4,4'-dicarboxylato(2-)- N1,N1'][4,4'-bis[5-(hexylthio)-2-thienyl]-2,2'-bipyridine- N1,N1']bis(thiocyanato-N)-
Molecular Weight	1014.32
Molecular Formula	C44H44N6O4RuS6
Canonical SMILES	CCCCCCSC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)SCCCCCC.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C(=[N-])=S.C(=[N-])=S.[Ru+2]
InChI	InChI=1S/C30H36N2S4.C12H8N2O4.2CNS.Ru/c1-3-5-7-9-19-33-29-13-11-27(35-29)23-15-17-31-25(21-23)26-22-24(16-18-32-26)28-12-14-30(36-28)34-20-10-8-6-4-2;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h11-18,21-22H,3-10,19-20H2,1-2H3;1-6H,(H,15,16)(H,17,18);/q;2*-1;+2
InChI Key	ZEXAHKWZTIWSCT-UHFFFAOYSA-N
Purity	98%
Complexity	1200
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1014.079171
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	2
Monoisotopic Mass	1014.079171
Rotatable Bond Count	16
Topological Polar Surface Area	299 Ų