[(1S,2S)-2-Amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene

Catalog Number	ACM174813811-1
CAS	174813-81-1
Structure
Synonyms	RuCl[(S,S)-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+]
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-;/m0/s1
InChI Key	XBNBOGZUDCYNOJ-XCPIVNJJSA-M
Melting Point	241-249 °C
Purity	98%+
Appearance	Solid
Exact Mass	622.099467
Hydrogen Bond Acceptor Count	4
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+]
Monoisotopic Mass	622.099467
Rotatable Bond Count	6
Topological Polar Surface Area	69.5 Ų