2-(5-methyl-2-sulfanylidene-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid

Systemtic Name: 2-(5-methyl-2-sulfanylidene-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid Openeye Name: 2-(5-methyl-2-thioxo-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid CAS Name: 2-(5-methyl-2-sulfanylidene-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid IUPAC Name: 2-(5-methyl-2-sulfanylidene-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid Traditional Name: 2-(5-methyl-2-thioxo-3H-1,3,4-thiadiazol-4-ium-4-yl)ethanesulfonic acid Formula: C5H9N2O3S3+ MolecularWeight: 241.33156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](NC(=S)S1)CCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](NC(=S)S1)CCS(=O)(=O)O

InChI

InChI=1S/C5H8N2O3S3/c1-4-7(6-5(11)12-4)2-3-13(8,9)10/h2-3H2,1H3,(H-,6,8,9,10,11)/p+1