Synonyms
Chloro(mesitylene)[(1S,2S)-(+)-2-amino-1,2-diphenylethyl(methylsulfonylamido)]ruthenium(II)
IUPAC Name
[(1S,2S)-2-amino-1,2-diphenylethyl]-methylsulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene;
Molecular Weight
546.1
Molecular Formula
C24H29ClN2O2RuS
Canonical SMILES
CC1=CC(=CC(=C1)C)C.CS(=O)(=O)[N-]C(C1=CC=CC=C1)C(C2=CC=CC=C2)N.Cl[Ru+]
InChI
InChI=1S/C15H17N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;/h2-11,14-15H,16H2,1H3;4-6H,1-3H3;1H;/q-1;+2/p-1/t14-,15-;/m0/s1
InChI Key
IACBEXZXCYLFOG-CEHYLXJWSA-M
Purity
98%
Appearance
Brown powder
Complexity
446
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
2
Exact Mass
546.068167
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
31
Isomeric SMILES
CC1=CC(=CC(=C1)C)C.CS(=O)(=O)[N-][C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N.Cl[Ru+]
Monoisotopic Mass
546.068167
Rotatable Bond Count
5
Topological Polar Surface Area
69.5 Ų
