3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium iodide Formula: C9H10INS2 MolecularWeight: 323.21687

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SC.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SC.[I-]

InChI

InChI=1S/C9H10NS2.HI/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;/h3-6H,1-2H3;1H/q+1;/p-1