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

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium hexafluorophosphate Openeye Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium hexafluorophosphate CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium hexafluorophosphate IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium hexafluorophosphate Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium hexafluorophosphate Formula: C9H10F6NPS2 MolecularWeight: 341.27658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10NS2.F6P/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-7(2,3,4,5)6/h3-6H,1-2H3;/q+1;-1