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

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium perchlorate Formula: C9H10ClNO4S2 MolecularWeight: 295.763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10NS2.ClHO4/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1