3-Oxo-3-phenylpropyl butyl(methyl)carbamodithioate

Base Information

• Chemical Name: 3-Oxo-3-phenylpropyl butyl(methyl)carbamodithioate
• CAS No.: 61998-05-8
• Molecular Formula: C15H21NOS2
• Molecular Weight: 295.46300
• DSSTox Substance ID: DTXSID10606173
• Wikidata: Q82504795

Synonyms:61998-05-8;3-Oxo-3-phenylpropyl butyl(methyl)carbamodithioate;SCHEMBL11610513;DTXSID10606173

Chemical Property of 3-Oxo-3-phenylpropyl butyl(methyl)carbamodithioate

Chemical Property:

• Boiling Point: 416.8±47.0 °C(Predicted)
• PSA: 77.70000
• Density: 1.124±0.06 g/cm3(Predicted)
• LogP: 4.00940
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 295.10645664
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(C)C(=S)SCCC(=O)C1=CC=CC=C1

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