2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide

Systemtic Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid bromide Openeye Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide CAS Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide IUPAC Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid bromide Traditional Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid bromide Formula: C10H10BrNO2S2 MolecularWeight: 320.2259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCC(=O)O.[Br-]

InChI

InChI=1S/C10H9NO2S2.BrH/c1-11-7-4-2-3-5-8(7)15-10(11)14-6-9(12)13;/h2-5H,6H2,1H3;1H