[2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate

Base Information

• Chemical Name: [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate
• CAS No.: 6069-76-7
• Molecular Formula: C18H16N2O5S
• Molecular Weight: 372.395
• DSSTox Substance ID: DTXSID80360573
• Wikidata: Q82142383
• ChEMBL ID: CHEMBL1562253
• Mol file: 6069-76-7.mol

Synonyms:6069-76-7;CBMicro_004255;Oprea1_758559;MLS001219567;[2-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate;CHEMBL1562253;DTXSID80360573;HMS2921E10;3-Nitro-benzoic acid 2-(morpholine-4-carbothioyl)-phenyl ester;SMSF0013017;STL383904;AKOS000592457;CB06127;SMR000607971;BIM-0004209.P001;SR-01000450993;SR-01000450993-1;2-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate;2-(MORPHOLINE-4-CARBOTHIOYL)PHENYL 3-NITROBENZOATE

Chemical Property of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 1.01E-13mmHg at 25°C
• Boiling Point: 586.2°Cat760mmHg
• Flash Point: 308.3°C
• Density: 1.385g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 372.07799279
• Heavy Atom Count: 26
• Complexity: 532

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]