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

Catalog Number	ACM1224601357-1
CAS	1224601-35-7
Structure
Molecular Weight	950.19
Molecular Formula	C44H44N6O4RuS4
Canonical SMILES	CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC.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/C30H36N2S2.C12H8N2O4.2CNS.Ru/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)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;/h13-22H,3-12H2,1-2H3;1-6H,(H,15,16)(H,17,18);/q;2*-1;+2
InChI Key	BXXRBPUFQSDMHJ-UHFFFAOYSA-N
Purity	98%
Complexity	1160
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	950.135029
Heavy Atom Count	59
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Monoisotopic Mass	950.135029
Rotatable Bond Count	14
Topological Polar Surface Area	249 Ų