1.0 2010-04-08 22:10:22 UTC 2015-07-20 22:54:11 UTC FDB012808 1,2-Benzisothiazol-3(2H)-one Industrial biocide. Present in can-end cements 1,2-Benzisothiazolin-3-one 1,2-Benzisothiazoline-3-one 1,2-Benzisothiazolinone 2-Thiobenzimide 2,3-dihydro-3-oxo-1,2-Benzisothiazole Benzisothiazolone Benzo[d]isothiazol-3-one BIT C7H5NOS IPX Proxan Proxel Proxel PL C7H5NOS 151.186 151.009184477 2,3-dihydro-1,2-benzothiazol-3-one 1,2-benzisothiazol-3(2H)-one 2634-33-5 O=C1NSC2=CC=CC=C12 InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) DMSMPAJRVJJAGA-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). Benzothiazoles Organic compounds Organoheterocyclic compounds Benzothiazoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Thiazoles 1,2-benzothiazole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Thiazole organic heterobicyclic compound organonitrogen heterocyclic compound logp 1.24 ALOGPS logs -1.67 ALOGPS solubility 3.21e+00 g/l ALOGPS melting_point Mp 157-158° logp 1.36 ChemAxon pka_strongest_acidic 9.48 ChemAxon pka_strongest_basic -8.5 ChemAxon iupac 2,3-dihydro-1,2-benzothiazol-3-one ChemAxon average_mass 151.186 ChemAxon mono_mass 151.009184477 ChemAxon smiles O=C1NSC2=CC=CC=C12 ChemAxon formula C7H5NOS ChemAxon inchi InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) ChemAxon inchikey DMSMPAJRVJJAGA-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 39.51 ChemAxon polarizability 14.49 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6590 Specdb::MsIr 6591 Specdb::MsIr 6592 Specdb::CMs 21131 Specdb::CMs 132280 Specdb::CMs 140014 Specdb::NmrOneD 2310 Specdb::NmrOneD 3014 Specdb::NmrOneD 126278 Specdb::NmrOneD 126279 Specdb::NmrOneD 126280 Specdb::NmrOneD 126281 Specdb::NmrOneD 126282 Specdb::NmrOneD 126283 Specdb::NmrOneD 126284 Specdb::NmrOneD 126285 Specdb::NmrOneD 126286 Specdb::NmrOneD 126287 Specdb::NmrOneD 126288 Specdb::NmrOneD 126289 Specdb::NmrOneD 126290 Specdb::NmrOneD 126291 Specdb::NmrOneD 126292 Specdb::NmrOneD 126293 Specdb::NmrOneD 126294 Specdb::NmrOneD 126295 Specdb::NmrOneD 126296 Specdb::NmrOneD 126297 Specdb::MsMs 91953 Specdb::MsMs 91954 Specdb::MsMs 91955 Specdb::MsMs 155451 Specdb::MsMs 155452 Specdb::MsMs 155453 Specdb::MsMs 435752 Specdb::MsMs 435753 Specdb::MsMs 435754 Specdb::MsMs 435755 Specdb::MsMs 435756 Specdb::MsMs 442059 Specdb::MsMs 442060 Specdb::MsMs 442061 Specdb::MsMs 442062 Specdb::MsMs 442063 Specdb::MsMs 442064 Specdb::MsMs 442065 Specdb::MsMs 442066 Specdb::MsMs 442067 Specdb::MsMs 442068 Specdb::MsMs 442069 Specdb::MsMs 442070 Specdb::MsMs 442071 Specdb::MsMs 442072 HMDB34413 #<Reference:0x000055ce3329c118>