1.02010-04-08 22:09:01 UTC2018-05-28 23:27:13 UTCFDB010214Saccharin, ammonium saltIt is used as a food additive .1,2-Benzisothiazol-3(2H)-one 1,1-dioxide1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ammonium salt2,3-dihydro-3-oxo-Benzisosulfonazoleammonium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxideAnhydro-O-sulfaminebenzoateAnhydro-O-sulphaminebenzoateAnhydro-O-sulphaminebenzoic acidBenzo-2-sulfimideBenzoate sulfimideBenzoate sulphimideBenzoic acid sulphimideBenzoylsulphonic imideO-Sulfobenzoate imideO-SulphobenzimideO-Sulphobenzoate imideO-Sulphobenzoic acid imideSaccharinC7H5NO3S183.185182.9990137212,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione2H-1lambda6,2-benzothiazole-1,1,3-trione81-07-2O=C1NS(=O)(=O)C2=C1C=CC=C2InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)CVHZOJJKTDOEJC-UHFFFAOYSA-N 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).BenzothiazolesOrganic compoundsOrganoheterocyclic compoundsBenzothiazolesAromatic heteropolycyclic compoundsAzacyclic compoundsBenzenoidsCarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsOrganosulfonic acids and derivatives1,2-benzothiazoleAromatic heteropolycyclic compoundAzacycleBenzenoidCarboxylic acid derivativeHydrocarbon derivativeOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic sulfonic acid or derivativesOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfonic acid or derivatives1,2-benzisothiazolelactamsulfonelogp0.02logs-1.97solubility1.95e+00 g/llogp0.45pka_strongest_acidic1.94iupac2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trioneaverage_mass183.185mono_mass182.999013721smilesO=C1NS(=O)(=O)C2=C1C=CC=C2formulaC7H5NO3SinchiInChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)inchikeyCVHZOJJKTDOEJC-UHFFFAOYSA-Npolar_surface_area63.24refractivity42.39polarizability16.02rotatable_bond_count0acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::CMs1527Specdb::CMs24007Specdb::CMs27762Specdb::CMs31602Specdb::CMs31885Specdb::CMs173765Specdb::MsIr3638Specdb::MsIr3639Specdb::MsIr3640Specdb::NmrOneD110058Specdb::NmrOneD110059Specdb::NmrOneD110060Specdb::NmrOneD110061Specdb::NmrOneD110062Specdb::NmrOneD110063Specdb::NmrOneD110064Specdb::NmrOneD110065Specdb::NmrOneD110066Specdb::NmrOneD110067Specdb::NmrOneD110068Specdb::NmrOneD110069Specdb::NmrOneD110070Specdb::NmrOneD110071Specdb::NmrOneD110072Specdb::NmrOneD110073Specdb::NmrOneD110074Specdb::NmrOneD110075Specdb::NmrOneD110076Specdb::NmrOneD110077Specdb::MsMs50109Specdb::MsMs50110Specdb::MsMs50111Specdb::MsMs118941Specdb::MsMs118942Specdb::MsMs118943Specdb::MsMs436131Specdb::MsMs436132Specdb::MsMs436133Specdb::MsMs436134Specdb::MsMs436135Specdb::MsMs436136Specdb::MsMs436137Specdb::MsMs436138Specdb::MsMs436139Specdb::MsMs436140Specdb::MsMs436141Specdb::MsMs436142Specdb::MsMs436143Specdb::MsMs436144Specdb::MsMs438655Specdb::MsMs440642Specdb::MsMs2233520Specdb::MsMs2235403Specdb::MsMs2236384HMDB29723LSA#<Reference:0x0000555675adf590>