[[(Phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate

Base Information

• Chemical Name: [[(Phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate
• CAS No.: 6142-40-1
• Molecular Formula: C13H19 N3 S3
• Molecular Weight: 313.50506
• European Community (EC) Number: 228-137-3
• DSSTox Substance ID: DTXSID00976978
• Nikkaji Number: J227.325J
• Mol file: 6142-40-1.mol

Synonyms:6142-40-1;[[(Phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate;EINECS 228-137-3;(((Phenylamino)thioxomethyl)amino)methyl diethyldithiocarbamate;DTXSID00976978;C13H19N3S3;C13-H19-N3-S3;Diethylcarbamodithioic acid [[(phenylamino)thioxomethyl]amino]methyl ester;N'-{[(Diethylcarbamothioyl)sulfanyl]methyl}-N-phenylcarbamimidothioic acid

Chemical Property of [[(Phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Boiling Point: 416.8°C at 760 mmHg
• PKA: 12.19±0.70(Predicted)
• Flash Point: 205.9°C
• Density: 1.264g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 313.07411114
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

98%Min ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C(=S)SCNC(=S)NC1=CC=CC=C1

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