2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide

Base Information

• Chemical Name: 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide
• CAS No.: 736157-02-1
• Molecular Formula: C9H4F3N3O4S2
• DSSTox Substance ID: DTXSID10429521
• Wikidata: Q82242547
• Pharos Ligand ID: DYDV8DMAHFPM
• ChEMBL ID: CHEMBL1222044

Synonyms:Cyclapolin 1;2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide;736157-02-1;2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-3-oxide;SCHEMBL5062617;CHEMBL1222044;DTXSID10429521;IRJROIRFULTGIX-UHFFFAOYSA-N

Chemical Property of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 338.95953245
• Heavy Atom Count: 21
• Complexity: 447

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])SC(F)(F)F

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