2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid

Systemtic Name: 2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid Openeye Name: 2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid CAS Name: 2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid IUPAC Name: 2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid Traditional Name: 2-(3,4-dimethyl-2H-1,3-benzothiazol-2-yl)ethanedithioic acid Formula: C11H13NS3 MolecularWeight: 255.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(N2C)CC(=S)S

Isomeric SMILES

CC1=C2C(=CC=C1)SC(N2C)CC(=S)S

InChI

InChI=1S/C11H13NS3/c1-7-4-3-5-8-11(7)12(2)9(15-8)6-10(13)14/h3-5,9H,6H2,1-2H3,(H,13,14)