2-Isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole

Base Information

• Chemical Name: 2-Isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole
• CAS No.: 50830-58-5
• Molecular Formula: C4F3N3OS
• Molecular Weight: 195.125
• DSSTox Substance ID: DTXSID00521341
• Mol file: 50830-58-5.mol

Synonyms:2-isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole;50830-58-5;SCHEMBL4903693;DTXSID00521341;trifluoromethyl-1,3,4-thiadiazol-2-yl isocyanate;2-trifluoromethyl-1,3,4-thiadiazol-5-yl isocyanate

Chemical Property of 2-Isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole

Chemical Property:

• PSA: 83.45000
• LogP: 1.52420
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 194.97141729
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NC1=NN=C(S1)C(F)(F)F)=O

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