Methyl 4-(1,1-Dioxothiomorpholino)benzoate

Base Information

• Chemical Name: Methyl 4-(1,1-Dioxothiomorpholino)benzoate
• CAS No.: 45185-76-0
• Molecular Formula: C12H15NO4S
• Molecular Weight: 269.32
• DSSTox Substance ID: DTXSID50377219
• Wikidata: Q82166356
• ChEMBL ID: CHEMBL1582081
• Mol file: 45185-76-0.mol

Synonyms:45185-76-0;Methyl 4-(1,1-Dioxothiomorpholino)benzoate;451485-76-0;Methyl 4-(1,1-dioxidothiomorpholino)benzoate;methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate;methyl 4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)benzoate;Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-benzenecarboxylate;Phthalimideacetylchloride;Oprea1_620883;MLS000720483;CHEMBL1582081;SCHEMBL12551037;DTXSID50377219;HMS2699E10;BTA48576;methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzenecarboxylate;MFCD02661674;AKOS005070406;SMR000335991;CS-0317759;FT-0639844;M1587;D91513;4R-0669;A826738;A912581;methyl 4-(1,1-dioxo-1-thiomorpholin-4-yl)benzoate;4-(1,1-Dioxothiomorpholino)benzoic Acid Methyl Ester;4-[4-(Methoxycarbonyl)phenyl]thiomorpholine 1,1-Dioxide;methyl 4-(1,1-dioxo-1|E?-thiomorpholin-4-yl)benzoate;methyl4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)benzoate;Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate;Methyl 4-(1,1-dioxo-1lambda6,4-thiazinan-4-yl)-benzenecarboxylate

Chemical Property of Methyl 4-(1,1-Dioxothiomorpholino)benzoate

Chemical Property:

• Vapor Pressure: 1.45E-10mmHg at 25°C
• Melting Point: 154-156 °C
• Refractive Index: 1.563
• Boiling Point: 511.1 °C at 760 mmHg
• Flash Point: 262.9 °C
• PSA: 72.06000
• Density: 1.306 g/cm³
• LogP: 1.85380
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.07217913
• Heavy Atom Count: 18
• Complexity: 379

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 4-(1,1-Dioxothiomorpholino)benzoate 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)N2CCS(=O)(=O)CC2