[N-[(1R,2R)-2-(Amino-kN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-kN]chloro [(1,2,3,4,5,6-n)-1,3,5-trimethylbenzene]-ruthenium

Catalog Number	ACM174813822-1
CAS	174813-82-2
Structure
Synonyms	RuCl[(R,R)-TsDPEN](mesitylene)
Molecular Weight	622.2
Molecular Formula	C30H33ClN2O2RuS
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.CC1=CC(=CC(=C1)C)C.[Cl-].[Ru+2]
InChI	InChI=1S/C21H21N2O2S.C9H12.ClH.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-4-8(2)6-9(3)5-7;/h2-15,20-21H,22H2,1H3;4-6H,1-3H3;1H;/q-1;+2/p-1/t20-,21-;/m1/s
InChI Key	XBNBOGZUDCYNOJ-AGEKDOICSA-M
Melting Point	241-249 °C
Purity	98%+
Appearance	Powder
Exact Mass	622.099467
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)[N-][C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N.CC1=CC(=CC(=C1)C)C.[Cl-].[Ru+2]
Monoisotopic Mass	622.099467
Rotatable Bond Count	6
Topological Polar Surface Area	69.5 Ų