[(1R,2R)-2-amino-1,2-diphenylethyl]-methylsulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene

Catalog Number	ACM1097730636-1
CAS	1097730-63-6
Synonyms	Chloro[(1R,2R)-N-(methanesulfonyl)-1,2-diphenylethanediamine](p-cymene)ruthenium(II)
Molecular Weight	560.1
Molecular Formula	C25H31ClN2O2RuS
Canonical SMILES	CC1=CC=C(C=C1)C(C)C.CS(=O)(=O)[N-]C(C1=CC=CC=C1)C(C2=CC=CC=C2)N.Cl[Ru+]
InChI	InChI=1S/C15H17N2O2S.C10H14.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-8(2)10-6-4-9(3)5-7-10;/h2-11,14-15H,16H2,1H3;4-8H,1-3H3;1H;/q-1;+2/p-1/t14-,15-;/m1/s1
InChI Key	MNPFGRNIWPPSEW-OLVQSPPGSA-M
Appearance	Solid
Exact Mass	560.083817
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)C(C)C.CS(=O)(=O)[N-][C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)N.Cl[Ru+]
Monoisotopic Mass	560.083817
Rotatable Bond Count	6
Topological Polar Surface Area	69.5 Ų