3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine

Base Information

• Chemical Name: 3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
• CAS No.: 130997-52-3
• Molecular Formula: C12H9F3N2OS
• Molecular Weight: 286.2729
• DSSTox Substance ID: DTXSID10927012
• Wikidata: Q82901627

Synonyms:3-(3-Butynyl)-2-imino-6-trifluoromethoxybenzothiazoline;3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine;130997-52-3;2(3H)-Benzothiazolimine, 3-(3-butynyl)-6-(trifluoromethoxy)-;SCHEMBL9780240;DTXSID10927012;BMKPEALPFBWEGE-UHFFFAOYSA-N;LS-40845;3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine

Chemical Property of 3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Boiling Point: 335.2°Cat760mmHg
• Flash Point: 156.5°C
• Density: 1.35g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 286.03876857
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N

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