Benzophenone-4-carboxamidoethyl Methanethiosulfonate

Base Information

• Chemical Name: Benzophenone-4-carboxamidoethyl Methanethiosulfonate
• CAS No.: 887352-65-0
• Molecular Formula: C17H17NO4S2
• Molecular Weight: 363.45
• DSSTox Substance ID: DTXSID20401050
• Wikidata: Q82204110
• Mol file: 887352-65-0.mol

Synonyms:Benzophenone-4-carboxamidoethyl Methanethiosulfonate;887352-65-0;4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide;DTXSID20401050;AKOS030240450;FT-0662576

Chemical Property of Benzophenone-4-carboxamidoethyl Methanethiosulfonate

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 3.15E-16mmHg at 25°C
• Melting Point: 141-143 °C
• Refractive Index: 1.607
• Boiling Point: 639 °C at 760 mmHg
• Flash Point: 340.3 °C
• PSA: 113.99000
• Density: 1.317 g/cm³
• LogP: 3.81190
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO, Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 363.05990037
• Heavy Atom Count: 24
• Complexity: 527

Purity/Quality:

99% ^*data from raw suppliers

Benzophenone-4-carboxamidoethylMethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)SCCNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Uses: A membrane permeable, bifunctional conjugate containing a photo reactive benzophenone group,and an MTS function for SH coupling.