2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide
• CAS No.: 175276-83-2
• Molecular Formula: C10H10 F3 N O2 S2
• Molecular Weight: 297.32
• Hs Code.: 2930909090
• European Community (EC) Number: 670-985-5
• DSSTox Substance ID: DTXSID30380529
• Wikidata: Q82170792
• Mol file: 175276-83-2.mol

Synonyms:175276-83-2;2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide;2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanethioamide;2-((3-(Trifluoromethyl)benzyl)sulfonyl)ethanethioamide;[3-(Trifluoromethyl)benzylsulphonyl]thioacetamide;Ethanethioamide, 2-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-;Maybridge1_008386;2-[3-(Trifluoromethyl)benzylsulfonyl]-thioacetamide;SCHEMBL5902351;HMS565F04;DTXSID30380529;MUDDTUQATCGWDY-UHFFFAOYSA-N;CCG-55875;MFCD00052940;AKOS005256223;AS-78296;CS-0336808;FT-0610856;[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide;A811982;2-(3-(trifluoromethyl)benzylsulfonyl)ethanethioamide;SR-01000644876-1;BRD-K17782216-001-01-7;{[3-(Trifluoromethyl)phenyl]methanesulfonyl}ethanethioamide

Chemical Property of 2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide

Chemical Property:

• Vapor Pressure: 2.69E-08mmHg at 25°C
• Melting Point: 165 °C
• Refractive Index: 1.558
• Boiling Point: 450.2°Cat760mmHg
• PKA: 12.21±0.29(Predicted)
• Flash Point: 226.1°C
• PSA: 100.63000
• Density: 1.472g/cm³
• LogP: 3.68740
• Sensitive.: Stench
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 297.01050540
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)CC(=S)N