Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-

Base Information

• Chemical Name: Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-
• CAS No.: 91512-40-2
• Molecular Formula: C14H7F3N2O2S2
• DSSTox Substance ID: DTXSID40362270
• Wikidata: Q82145180

Synonyms:Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-;91512-40-2;2-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole;CBMicro_044101;SCHEMBL10781795;DTXSID40362270;BIM-0043997.P001

Chemical Property of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 355.99010430
• Heavy Atom Count: 23
• Complexity: 447

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

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