3H-1,3-benzothiazole-2-thione; propane-1-sulfonic acid

Systemtic Name: 3H-1,3-benzothiazole-2-thione; propane-1-sulfonic acid Openeye Name: 3H-1,3-benzothiazole-2-thione; propane-1-sulfonic acid CAS Name: 3H-1,3-benzothiazole-2-thione; 1-propanesulfonic acid IUPAC Name: 3H-1,3-benzothiazole-2-thione; propane-1-sulfonic acid Traditional Name: 3H-1,3-benzothiazole-2-thione; propane-1-sulfonic acid Formula: C10H13NO3S3 MolecularWeight: 291.41012

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)O.C1=CC=C2C(=C1)NC(=S)S2

Isomeric SMILES

CCCS(=O)(=O)O.C1=CC=C2C(=C1)NC(=S)S2

InChI

InChI=1S/C7H5NS2.C3H8O3S/c9-7-8-5-3-1-2-4-6(5)10-7;1-2-3-7(4,5)6/h1-4H,(H,8,9);2-3H2,1H3,(H,4,5,6)