1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:17 UTC FDB010915 Benzothiazole Isolated from cranberries Benzothiazole is a colorless, slightly viscous liquid with a melting point of 2 °C, and a boiling point of 227-228 °C. The density of benzothiazole is 1.238 g/ml (25 °C). It is a heterocyclic organic compound. Benzothiazole has no household use. It is used in industry and research. Benzothiazole is found in many foods, some of which are potato, common persimmon, guava, and tea. 1-Thia-3-azaindene 1,3-Benzothiazole Benzosulfonazole Benzosulphonazole Benzothiazol BOT BT Vangard BT C7H5NS 135.186 135.014269855 1,3-benzothiazole benzothiazole 95-16-9 S1C=NC2=CC=CC=C12 InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H IOJUPLGTWVMSFF-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 Organopnictogen compounds Thiazoles 1,3-benzothiazole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Thiazole benzothiazoles Liquid logp 2.13 ALOGPS logs -2.25 ALOGPS solubility 7.65e-01 g/l ALOGPS melting_point 2 oC logp 2.11 ChemAxon pka_strongest_basic 2.28 ChemAxon iupac 1,3-benzothiazole ChemAxon average_mass 135.186 ChemAxon mono_mass 135.014269855 ChemAxon smiles S1C=NC2=CC=CC=C12 ChemAxon formula C7H5NS ChemAxon inchi InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H ChemAxon inchikey IOJUPLGTWVMSFF-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 37.13 ChemAxon polarizability 13.61 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2534 Specdb::CMs 26851 Specdb::CMs 29030 Specdb::CMs 29944 Specdb::CMs 101274 Specdb::CMs 101275 Specdb::CMs 101276 Specdb::CMs 166193 Specdb::EiMs 1779 Specdb::MsIr 5804 Specdb::MsIr 5805 Specdb::NmrOneD 4002 Specdb::NmrOneD 4289 Specdb::NmrOneD 260268 Specdb::NmrOneD 260269 Specdb::NmrOneD 260270 Specdb::NmrOneD 260271 Specdb::NmrOneD 260272 Specdb::NmrOneD 260273 Specdb::NmrOneD 260274 Specdb::NmrOneD 260275 Specdb::NmrOneD 260276 Specdb::NmrOneD 260277 Specdb::NmrOneD 260278 Specdb::NmrOneD 260279 Specdb::NmrOneD 260280 Specdb::NmrOneD 260281 Specdb::NmrOneD 260282 Specdb::NmrOneD 260283 Specdb::NmrOneD 260284 Specdb::NmrOneD 260285 Specdb::NmrOneD 260286 Specdb::NmrOneD 260287 Specdb::MsMs 89457 Specdb::MsMs 89458 Specdb::MsMs 89459 Specdb::MsMs 152403 Specdb::MsMs 152404 Specdb::MsMs 152405 Specdb::MsMs 441447 Specdb::MsMs 442199 Specdb::MsMs 442200 Specdb::MsMs 442201 Specdb::MsMs 442202 Specdb::MsMs 442203 Specdb::MsMs 442204 Specdb::MsMs 442205 Specdb::MsMs 442206 Specdb::MsMs 442207 Specdb::MsMs 442208 Specdb::MsMs 442209 Specdb::MsMs 442210 Specdb::MsMs 449159 Specdb::MsMs 449160 Specdb::MsMs 449161 Specdb::MsMs 452444 Specdb::MsMs 2234140 Specdb::MsMs 2234809 HMDB32930 45993 #<Reference:0x000055ce2f3d8080> #<Reference:0x000055ce2f3bbcc8> #<Reference:0x000055ce2f3bb570> Asparagus Type 1 specific Asparagus officinalis 4686 Black tea Type 1 Blackberry Type 1 specific Rubus Broccoli Type 1 specific Brassica oleracea var. italica 36774 Common persimmon Type 1 specific Diospyros virginiana 13493 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Potato Type 1 specific Solanum tuberosum 4113 Red tea Type 1 Safflower Type 1 specific Carthamus tinctorius 4222 0.002 0.003 0.001 mg/100 g Tea Type 1 specific Camellia sinensis 4442 coffee cooked gasoline meat nutty rubber rubbery sulfury vegetable