2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolepropanenitrile ethanedioate (1:1)

Base Information

• Chemical Name: 2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolepropanenitrile ethanedioate (1:1)
• CAS No.: 130997-37-4
• Molecular Formula: C13H10F3N3O5S
• Molecular Weight: 377.2958
• DSSTox Substance ID: DTXSID60927002

Synonyms:2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolepropanenitrile ethanedioate (1:1);2-Imino-3-(2-cyanoethyl)-6-trifluoromethoxybenzothiazoline monooxalate;3(2H)-Benzothiazolepropanenitrile, 2-imino-6-(trifluoromethoxy)-, ethanedioate (1:1);130997-37-4;DTXSID60927002;C11H8F3N3OS.C2H2O4;LS-40810;C11-H8-F3-N3-O-S.C2-H2-O4;Oxalic acid--3-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]propanenitrile (1/1)

Chemical Property of 2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolepropanenitrile ethanedioate (1:1)

Chemical Property:

• Vapor Pressure: 4.03E-06mmHg at 25°C
• Boiling Point: 384.6°Cat760mmHg
• Flash Point: 186.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 377.02932609
• Heavy Atom Count: 25
• Complexity: 477

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCC#N.C(=O)(C(=O)O)O

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