Methyl 4-((dimethylamino)thioxomethoxy)salicylate

Base Information

• Chemical Name: Methyl 4-((dimethylamino)thioxomethoxy)salicylate
• CAS No.: 94108-13-1
• Molecular Formula: C11H13 N O4 S
• Molecular Weight: 255.29022
• European Community (EC) Number: 302-351-8
• DSSTox Substance ID: DTXSID00240565
• Nikkaji Number: J318.711J
• Wikidata: Q83123507
• Mol file: 94108-13-1.mol

Synonyms:94108-13-1;Methyl 4-((dimethylamino)thioxomethoxy)salicylate;EINECS 302-351-8;METHYL 4-[(DIMETHYLAMINO)THIOXOMETHOXY]SALICYLATE;DTXSID00240565;4-[(Dimethylamino)thioxomethoxy]-2-hydroxybenzoic acid methyl ester

Chemical Property of Methyl 4-((dimethylamino)thioxomethoxy)salicylate

Chemical Property:

• Vapor Pressure: 2.47E-05mmHg at 25°C
• Boiling Point: 348.6°Cat760mmHg
• Flash Point: 164.6°C
• PSA: 91.09000
• Density: 1.309g/cm³
• LogP: 1.40410
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 255.05652907
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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