1,3-benzothiazole; 3-sulfanylpropanoic acid

Systemtic Name: 1,3-benzothiazole; 3-sulfanylpropanoic acid Openeye Name: 1,3-benzothiazole; 3-sulfanylpropanoic acid CAS Name: 1,3-benzothiazole; 3-mercaptopropanoic acid IUPAC Name: 1,3-benzothiazole; 3-sulfanylpropanoic acid Traditional Name: 1,3-benzothiazole; 3-mercaptopropionic acid Formula: C10H11NO2S2 MolecularWeight: 241.32984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NS.C3H6O2S/c1-2-4-7-6(3-1)8-5-9-7;4-3(5)1-2-6/h1-5H;6H,1-2H2,(H,4,5)