N,N-Bis(2-((4-tolylsulfonyl)oxy)ethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide

Base Information

• Chemical Name: N,N-Bis(2-((4-tolylsulfonyl)oxy)ethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
• CAS No.: 147597-63-5
• Molecular Formula: C28H35 N O9 S3
• Molecular Weight: 625.77
• DSSTox Substance ID: DTXSID70933154
• Wikidata: Q82908959
• Mol file: 147597-63-5.mol

Synonyms:bis(TSOE)-MBS;N,N-bis(2-((4-tolylsulfonyl)oxy)ethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide

Chemical Property of N,N-Bis(2-((4-tolylsulfonyl)oxy)ethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.36E-24mmHg at 25°C
• Boiling Point: 781.2°Cat760mmHg
• PKA: -9.31±0.70(Predicted)
• Flash Point: 426.3°C
• PSA: 158.49000
• Density: 1.307g/cm³
• LogP: 7.28130
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 625.14739521
• Heavy Atom Count: 41
• Complexity: 1070

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=C(C(=C(C=C3C)OC)C)C

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