1,3-benzothiazole; 3-sulfanylpropane-1-sulfonic acid

Systemtic Name: 1,3-benzothiazole; 3-sulfanylpropane-1-sulfonic acid Openeye Name: 1,3-benzothiazole; 3-sulfanylpropane-1-sulfonic acid CAS Name: 1,3-benzothiazole; 3-mercapto-1-propanesulfonic acid IUPAC Name: 1,3-benzothiazole; 3-sulfanylpropane-1-sulfonic acid Traditional Name: 1,3-benzothiazole; 3-mercaptopropane-1-sulfonic acid Formula: C10H13NO3S3 MolecularWeight: 291.41012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C(CS)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C(CS)CS(=O)(=O)O

InChI

InChI=1S/C7H5NS.C3H8O3S2/c1-2-4-7-6(3-1)8-5-9-7;4-8(5,6)3-1-2-7/h1-5H;7H,1-3H2,(H,4,5,6)