(2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%

• CAS: 1186602-28-7
• Catalog Number: ACM1186602287
• Category: Other Products
• Molecular Weight: 581.621g/mol
• Molecular Formula: C29H29F6N3OS
• Synonyms: SCHEMBL14761481;CVRDZXYJAOQFRH-XMMPIXPASA-N;MFCD18827622;1186602-28-7;N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide;(S)-N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide
• IUPAC Name: (2S)-N-benzhydryl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide
• Canonical SMILES: CC(C)(C)C(C(=O)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C29H29F6N3OS/c1-27(2,3)24(25(39)38(4)23(18-11-7-5-8-12-18)19-13-9-6-10-14-19)37-26(40)36-22-16-20(28(30,31)32)15-21(17-22)29(33,34)35/h5-17,23-24H,1-4H3,(H2,36,37,40)/t24-/m1/s1
• InChI Key: CVRDZXYJAOQFRH-XMMPIXPASA-N
• Application: Organocatalyst used for the asymmetric hydrocyanation of imines.; ; Catalyst used for enantioselective iso-Pictet-Spengler Reactions.; ; Catalyst for multicomponent Aza-Henry Reaction
• Complexity: 806
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 581.194g/mol
• H-Bond Acceptor: 8
• H-Bond Donor: 2
• Heavy Atom Count: 40
• Monoisotopic Mass: 581.194g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 76.5A^2

Custom Reviews

April 6, 2023

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Useful chiral ligands
In the experiment, (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide is a good chiral ligand, which can form a new catalyst with metals to efficiently catalyze organic synthesis.

Custom Q&A

What is the Molecular formula of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

C29H29F6N3OS

What is the Molecular weight of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

581.62

What is the InChIKey of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

CVRDZXYJAOQFRH-XMMPIXPASA-N

What is the SMILES of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

CC(C)(C)C(C(=O)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

What is the Form of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

Solid, white to gray

What is the Melting point of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

193-198℃

What is the Acidity coefficient (pKa) of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

11.41±0.70 (Predicted)

What is the Boiling point of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

574.7±60.0℃ (Predicted)

What is the Density of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

1.289±0.06 g/cm3 (Predicted)

What is the Specific rotation of (2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%?

-57°(c 1.0, CHCl3)