Chloro[(1S,2S)-N-(2',6'-dimethylbenzylsulfonyl)-1,2-diphenylethanediamine](p-cymene)ruthenium(II)

Catalog Number	ACM1251757364
CAS	1251757-36-4
Synonyms	[(1S,2S)-2-Amino-1,2-diphenylethyl]-[(2,6-dimethylphenyl)methylsulfonyl]azanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
Molecular Weight	664.3
Molecular Formula	C33H39ClN2O2RuS
Canonical SMILES	CC1=CC=C(C=C1)C(C)C.CC1=C(C(=CC=C1)C)CS(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.Cl[Ru+]
InChI	InChI=1S/C23H25N2O2S.C10H14.ClH.Ru/c1-17-10-9-11-18(2)21(17)16-28(26,27)25-23(20-14-7-4-8-15-20)22(24)19-12-5-3-6-13-19;1-8(2)10-6-4-9(3)5-7-10;/h3-15,22-23H,16,24H2,1-2H3;4-8H,1-3H3;1H;/q-1;+2/p-1/t22-,23-;/m0/s1
InChI Key	RHRBFTPQNXCPKW-USLJDWOKSA-M
Purity	98%
Complexity	651
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Exact Mass	664.146418
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)C(C)C.CC1=C(C(=CC=C1)C)CS(=O)(=O)[N-][C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N.Cl[Ru+]
Monoisotopic Mass	664.146418
Rotatable Bond Count	8
Topological Polar Surface Area	69.5 Ų