3-isothiocyanatopropane-1-sulfonic acid

Systemtic Name: 3-isothiocyanatopropane-1-sulfonic acid Openeye Name: 3-isothiocyanatopropane-1-sulfonic acid CAS Name: 3-isothiocyanato-1-propanesulfonic acid IUPAC Name: 3-isothiocyanatopropane-1-sulfonic acid Traditional Name: 3-isothiocyanatopropane-1-sulfonic acid Formula: C4H7NO3S2 MolecularWeight: 181.23328

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Descriptors Computed from Structure

Canonical SMILES:

C(CN=C=S)CS(=O)(=O)O

Isomeric SMILES

C(CN=C=S)CS(=O)(=O)O

InChI

InChI=1S/C4H7NO3S2/c6-10(7,8)3-1-2-5-4-9/h1-3H2,(H,6,7,8)