1.0 2016-06-03 10:11:05 UTC 2026-08-22 07:28:41 UTC thymol blue SmallMolecule Thymol blue is an organic compound with the chemical formula C27H30O5S and an average molecular weight of 466.59 g/mol. Regarding its chemical categorization, thymol blue belongs to the benzofuranones, a subclass of benzofurans within the organic compounds. It is further classified under the superclass of organoheterocyclic compounds. This substance is associated with nine recorded sources across various sectors. Within electrical and electronic equipment, it is found in or released from discharge lamps, electric switches, magnets, superconducting magnets and superconducting coils, and superconductive or hyperconductive conductors cables or transmission lines, among one other source. In the category of household cleaning and consumer products, it is linked to pipe accessories and cigar cigarettes. Additionally, thymol blue is found in the food, food processing, and cookware sector, specifically in the processing of meats. Phenolic Antioxidant C27H30O5S 466.59 466.18139524 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1lambda6-benzoxathiole-1,1-dione 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2,1lambda6-benzoxathiole-1,1-dione 76-61-9 CC(C)C1=C(O)C=C(C)C(=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C=C1C InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3 PRZSXZWFJHEZBJ-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzofurans Benzofuranones Benzofuranones 1-hydroxy-2-unsubstituted benzenoids Aromatic monoterpenoids Benzoxathioles Bicyclic monoterpenoids Cumenes Hydrocarbon derivatives Meta cresols Organic oxides Organooxygen compounds Organosulfonic acid esters Oxacyclic compounds Phenylpropanes Phthalides Toluenes 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzofuranone Benzoxathiole Bicyclic monoterpenoid Cumene Hydrocarbon derivative M-cresol Monocyclic benzene moiety Monoterpenoid Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid ester Organosulfonic acid or derivatives Oxacycle P-cymene Phenol Phenylpropane Phthalide Toluene Aromatic heteropolycyclic compounds Detected and Not Quantified logp 6 logp 4.80 ALOGPS logs -6.16 ALOGPS solubility 3.20e-04 g/l ALOGPS logp 7.63 ChemAxon pka_strongest_acidic 9.75 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1lambda6-benzoxathiole-1,1-dione ChemAxon average_mass 466.59 ChemAxon mono_mass 466.18139524 ChemAxon smiles CC(C)C1=C(O)C=C(C)C(=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C=C1C ChemAxon formula C27H30O5S ChemAxon inchi InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3 ChemAxon inchikey PRZSXZWFJHEZBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 132.58 ChemAxon polarizability 50.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a9145a00> 65565 59008