s-Ethyl 5-nitrofuran-2-carbothioate

Base Information

• Chemical Name: s-Ethyl 5-nitrofuran-2-carbothioate
• CAS No.: 5458-04-8
• Molecular Formula: C7H7NO4S
• Molecular Weight: 201.1998
• NSC Number: 23781
• DSSTox Substance ID: DTXSID60282002
• Wikidata: Q82016154
• Mol file: 5458-04-8.mol

Synonyms:s-ethyl 5-nitrofuran-2-carbothioate;5458-04-8;NSC23781;DTXSID60282002;NSC-23781;5-Nitro-2-furoic acid ethyl thioester

Chemical Property of s-Ethyl 5-nitrofuran-2-carbothioate

Chemical Property:

• Vapor Pressure: 0.00119mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 299.5 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 101.33000
• Density: 1.377 g/cm³
• LogP: 2.60430
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 201.00957888
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCSC(=O)C1=CC=C(O1)[N+](=O)[O-]