1.0 2010-04-08 22:04:46 UTC 2025-11-18 22:26:17 UTC FDB000920 Saccharin calcium Sweetener 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one, calcium salt 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, calcium salt 1,2-Benzisothiazolin-3-one, 1,1-dioxide, calcium salt Calcium 2-benzosulphimide calcium bis(3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide) Calcium o-benzosulphimide Calcium saccharin Calcium saccharina Calcium saccharinate Saccharin calcium anhydrous Saccharin calcium, USAN Saccharin, calcium Sulphobenzoic imide calcium salt C14H8CaN2O6S2 404.431 403.944968533 calcium bis(1,1-dioxo-1λ⁶,2-benzothiazol-3-olate) calcium bis(1,1-dioxo-1λ⁶,2-benzothiazol-3-olate) 6485-34-3 [Ca++].[O-]C1=NS(=O)(=O)C2=CC=CC=C12.[O-]C1=NS(=O)(=O)C2=CC=CC=C12 InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2 LNMAXKMUGYXKPJ-UHFFFAOYSA-L belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). Benzothiazoles Organic compounds Organoheterocyclic compounds Benzothiazoles Azacyclic compounds Benzenoids Hydrocarbon derivatives Organic calcium salts Organic oxides Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organosulfonic acids and derivatives 1,2-benzothiazole Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic calcium salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sulfonic acid or derivatives Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives logp 2.13 ALOGPS logs -3.94 ALOGPS solubility 4.65e-02 g/l ALOGPS logp 0.82 ChemAxon pka_strongest_acidic 4.83 ChemAxon pka_strongest_basic -0.37 ChemAxon iupac calcium bis(1,1-dioxo-1λ⁶,2-benzothiazol-3-olate) ChemAxon average_mass 404.431 ChemAxon mono_mass 403.944968533 ChemAxon smiles [Ca++].[O-]C1=NS(=O)(=O)C2=CC=CC=C12.[O-]C1=NS(=O)(=O)C2=CC=CC=C12 ChemAxon formula C14H8CaN2O6S2 ChemAxon inchi InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2 ChemAxon inchikey LNMAXKMUGYXKPJ-UHFFFAOYSA-L ChemAxon polar_surface_area 69.56 ChemAxon refractivity 53.27 ChemAxon polarizability 15.65 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon odorless