Carbamodithioic acid, methyl(phenylsulfonyl)-, phenyl ester

Base Information

• Chemical Name: Carbamodithioic acid, methyl(phenylsulfonyl)-, phenyl ester
• CAS No.: 873002-18-7
• Molecular Formula: C14H13NO2S3
• Molecular Weight: 323.45400
• DSSTox Substance ID: DTXSID40469531
• Nikkaji Number: J2.257.457D
• Wikidata: Q82297309

Synonyms:Carbamodithioic acid, methyl(phenylsulfonyl)-, phenyl ester;873002-18-7;DTXSID40469531

Chemical Property of Carbamodithioic acid, methyl(phenylsulfonyl)-, phenyl ester

Chemical Property:

• Melting Point: 107.4-109.4 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 467.6±28.0 °C(Predicted)
• PSA: 103.15000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 4.46510
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 323.01084218
• Heavy Atom Count: 20
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=S)SC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

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