[(1S,2S)-2-Amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride

Catalog Number	ACM1026995721-1
CAS	1026995-72-1
Structure
Synonyms	[(S,S)-N-(2-Amino-1,2-diphenylethyl)pentafluorobenzenesulfonamide]chloro(p-cymene)ruthenium(II)
Molecular Weight	712.1
Molecular Formula	C30H28ClF5N2O2RuS
Canonical SMILES	CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]
InChI	InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;+2/p-1/t18-,19-;/m0/s1
InChI Key	UWFMZLATRGEOIW-NWMPYMMKSA-M
Melting Point	238-244 °C
Purity	97%
Appearance	Powder
Exact Mass	712.052358
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]
Monoisotopic Mass	712.052358
Rotatable Bond Count	7
Topological Polar Surface Area	69.5 Ų