RuCl[(S,S)-Fsdpen](p-cymene)

• Catalog Number: ACM1026995721
• Product Name: RuCl[(S,S)-Fsdpen](p-cymene)
• CAS: 1026995-72-1
• Category: Ruthenium series catalysts
• Synonyms: RuCl[(S,S)-FsDPEN](p-cymene);1026995-72-1;[(S,S)-N-(2-Amino-1,2-diphenylethyl)pentafluorobenzenesulfonamide]chloro(p-cymene)ruthenium(II);R0122;J-000770;Chloro(p-cymene)[(S,S)-N-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine]ruthenium(II);Chloro{[(1S,2S)-(+)-2-amino-1,2-diphenylethyl](pentafluorophenylsulfonyl)amido}(p-cymene)ruthenium(I
• IUPAC Name: [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
• Molecular Weight: 712.138g/mol
• 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
• Application: Catalyst used in the asymmetric transfer hydrogenation of ketones using formic acid-triethylamine mixture.
• Storage: 2-8°C
• Complexity: 722
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 2
• Exact Mass: 712.052g/mol
• H-Bond Acceptor: 10
• H-Bond Donor: 1
• Heavy Atom Count: 42
• Monoisotopic Mass: 712.052g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 69.5A^2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C30H28ClF5N2O2RuS.

What is the molecular weight of the compound?

The molecular weight of the compound is 712.1 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene.

What is the InChI code of the compound?

The InChI code of the compound is 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.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is 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+].

What is the CAS number of the compound?

The CAS number of the compound is 1026995-72-1.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 806-979-8.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 9.

What is the rotatable bond count of the compound?

The rotatable bond count of the compound is 7.