N-(Aminothioxomethyl)-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N-(Aminothioxomethyl)-2,2,2-trifluoroacetamide
• CAS No.: 34067-44-2
• Molecular Formula: C3H3 F3 N2 O S
• Molecular Weight: 172.1289296
• European Community (EC) Number: 251-815-5
• UNII: JP9UVL6B6E
• DSSTox Substance ID: DTXSID60187664
• Nikkaji Number: J287.854B
• Mol file: 34067-44-2.mol

Synonyms:34067-44-2;N-(Aminothioxomethyl)-2,2,2-trifluoroacetamide;N-carbamothioyl-2,2,2-trifluoroacetamide;EINECS 251-815-5;JP9UVL6B6E;(trifluoroacetyl)thiourea;UNII-JP9UVL6B6E;C3H3F3N2OS;SCHEMBL517957;DTXSID60187664;IUOYQVWAOBUMLY-UHFFFAOYSA-N;C3-H3-F3-N2-O-S;AKOS006328343;N-[Amino(thioxo)methyl]-2,2,2-trifluoroacetamide;Acetamide, N-(aminothioxomethyl)-2,2,2-trifluoro-

Chemical Property of N-(Aminothioxomethyl)-2,2,2-trifluoroacetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.24000
• Density: 1.578g/cm³
• LogP: 1.46950
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 171.99181838
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

N-(AMINOTHIOXOMETHYL)-2,2,2-TRIFLUOROACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)NC(=S)N