RuCl[(S,S)-Tsdpen](mesitylene)

• CAS: 174813-81-1
• Catalog Number: ACM174813811
• Category: Ruthenium series catalysts
• Molecular Weight: 622.186g/mol
• Molecular Formula: C30H33ClN2O2RuS
• Synonyms: RuCl[(S,S)-TsDPEN](mesitylene);174813-81-1;CTK8E7375;KS-000018VY;RT-015463;J-011043;Ruthenium, [N-[(1S,2S)-2-(amino-kappaN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-kappaN]chloro[(1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene]-
• IUPAC Name: [(1S,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.CC1=CC(=CC(=C1)C)C.Cl[Ru+]
• InChI: InChI=1S/C21H21N2O2S.C9H12.ClH.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-4-8(2)6-9(3)5-7;;/h2-15,20-21H,22H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t20-,21-;;;/m0.../s1
• InChI Key: XBNBOGZUDCYNOJ-XCPIVNJJSA-M
• Application: Catalyst used in the asymmetric transfer hydrogenation of ketones using formic acid-triethylamine mixture.
• Storage: 2-8°C
• Complexity: 568
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 2
• Exact Mass: 622.099g/mol
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 37
• Monoisotopic Mass: 622.099g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 69.5A^2

Custom Q&A

What is the molecular formula of RuCl[(S,S)-Tsdpen](mesitylene)?

The molecular formula is C30H33ClN2O2RuS.

What is the molecular weight of RuCl[(S,S)-Tsdpen](mesitylene)?

The molecular weight is 622.2 g/mol.

What are the synonyms of RuCl[(S,S)-Tsdpen](mesitylene)?

The synonyms include RuCl[(S,S)-TsDPEN](mesitylene), 174813-81-1, and others.

What is the Parent Compound of RuCl[(S,S)-Tsdpen](mesitylene)?

The Parent Compound is CID 6612782 ((1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine).

What are the component compounds of RuCl[(S,S)-Tsdpen](mesitylene)?

The component compounds include Mesitylene, Chlororuthenium(1+), and CID 6612782.

When was RuCl[(S,S)-Tsdpen](mesitylene) created and last modified?

It was created on 2006-10-26 and last modified on 2023-12-30.

What is the IUPAC name of RuCl[(S,S)-Tsdpen](mesitylene)?

The IUPAC name is [(1S,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene.

What is the InChIKey of RuCl[(S,S)-Tsdpen](mesitylene)?

The InChIKey is XBNBOGZUDCYNOJ-XCPIVNJJSA-M.

What is the European Community (EC) Number of RuCl[(S,S)-Tsdpen](mesitylene)?

The EC Number is 692-000-8.

What is the topological polar surface area of RuCl[(S,S)-Tsdpen](mesitylene)?

The topological polar surface area is 69.5 Ų.

What are the synonyms for RuCl[(S,S)-TsDPEN](mesitylene)?

The synonyms include RuCl[(S,S)-TsDPEN](mesitylene) and 95% F16626.

What are the parent compounds and component compounds of RuCl[(S,S)-TsDPEN](mesitylene)?

The parent compound is CID 6612782 ((1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine) and the component compounds include CID 7947 (Mesitylene), CID 2734907 (Chlororuthenium(1+)), and CID 6612782 ((1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine).

How many hydrogen bond acceptors are present in RuCl[(S,S)-TsDPEN](mesitylene)?

There are 4 hydrogen bond acceptors.

How many rotatable bonds are present in RuCl[(S,S)-TsDPEN](mesitylene)?

There are 6 rotatable bonds.