Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate

Base Information

• Chemical Name: Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate
• CAS No.: 94108-12-0
• Molecular Formula: C13H15 N O5 S
• Molecular Weight: 297.3269
• European Community (EC) Number: 302-350-2
• DSSTox Substance ID: DTXSID40240564
• Nikkaji Number: J318.710A
• Wikidata: Q83123505
• Mol file: 94108-12-0.mol

Synonyms:Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate;EINECS 302-350-2;94108-12-0;METHYL 4-[(DIMETHYLAMINO)THIOXOMETHOXY]-O-ACETYLSALICYLATE;DTXSID40240564;2-(Acetyloxy)-4-[(dimethylamino)thioxomethoxy]benzoic acid methyl ester

Chemical Property of Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 377.4°Cat760mmHg
• Flash Point: 182.1°C
• PSA: 97.16000
• Density: 1.269g/cm³
• LogP: 1.62380
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 297.06709375
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=CC(=C1)OC(=S)N(C)C)C(=O)OC