155884-01-8 Purity
95%
If you have any other questions or need other size, please get a quote.
Specification
The PubChem CID is 46846568.
The molecular formula is C31H35ClN2O2RuS.
The molecular weight is 636.2 g/mol.
The synonyms are RuCl[(R,R)-Tsdpen](p-cymene), R0125, A901940, and various other names.
The component compounds are Ruthenium (CID 23950), p-CYMENE (CID 7463), Hydrochloric Acid (CID 313), and ((1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine) (CID 2734565).
It was created on August 23, 2010.
It was last modified on December 30, 2023.
The IUPAC name is [(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride.
The InChIKey is AZFNGPAYDKGCRB-AGEKDOICSA-M.
Yes, RuCl[(R,R)-Tsdpen](p-cymene) is the canonical form of the compound.
The synonyms are RuCl[(R,R)-Tsdpen](p-cymene), R0125, A901940, ((R,r)-2-amino-1,2-diphenylethyl)[(4-tolyl)sulfonyl]amido](pcymene)ruthenium(II)chloride, and [(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide]chloro(p-cymene)ruthenium(II).
The InChI is InChI=1S/C21H21N2O2S.C10H14.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;1-8(2)10-6-4-9(3)5-7-10;;/h2-15,20-21H,22H2,1H3;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t20-,21-;;;/m1.../s1.
The canonical SMILES is CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.[Cl-].[Ru+2].
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.
The rotatable bond count is 7.