thiobenzoic acid

benzoic acid, thio-

CAS: 98-91-9 C7 H6 O S MW: 138.18902000

Identification

Namethiobenzoic acid
IUPACbenzenecarbothioic S-acid
CAS Number98-91-9
EINECS202-712-9
FDA UNIIGBG5RLO56N
Molecular FormulaC7 H6 O S
Molecular Weight138.18902000
MDL NumberMFCD00004852
Nikkaji NumberJ60.351A
Beilstein2039640
XlogP32.40 (est)

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.17400 @ 25.00 °C.
Melting Point 24.00 °C. @ 760.00 mm Hg
Boiling Point 222.05 °C. @ 760.00 mm Hg (est)
Vapor Pressure 0.104000 mmHg @ 25.00 °C. (est)
Flash Point > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w) 1.645 (est)
Soluble in water, 1867 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LDLo 250 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorypharmaceuticals / chemical synthisis
Recommendation for thiobenzoic acid usage levels up tonot for fragrance use.
Recommendation for thiobenzoic acid flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

benzenecarbothioic acid benzenecarbothioic S-acid benzoic acid, thio- US Patents: 3,931,270 - Process for producing 2-thia substituted 1,4 diones PubMed: Role of keto-enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis of meso-epoxide: a DFT study. PubMed: Facile Access to 5'-S-(4,4'-Dimethoxytrityl)-2',5'-Dideoxyribonucleosides via Stable Disulfide Intermediates. PubMed: Synthesis and structures of cadmium carboxylate and thiocarboxylate compounds with a sulfur-rich coordination environment: carboxylate exchange kinetics involving tris(2-mercapto-1-t-butylimidazolyl)hydroborato cadmium complexes, [Tm(Bu(t))]Cd(O2CR). PubMed: Far- and near-field properties of gold nanoshells studied by photoacoustic and surface-enhanced Raman spectroscopies. PubMed: Simultaneous solid phase extraction and derivatization of aliphatic primary amines prior to separation and UV-absorbance detection. PubMed: Novel o-naphthoquinones induce apoptosis of EL-4 T lymphoma cells through the increase of reactive oxygen species. PubMed: Synthesis, spectroscopic, thermal and antimicrobial studies of toluene-3,4-dithiolatoarsenic(III) derivatives with some oxygen and sulphur donor ligands. PubMed: A SABATH Methyltransferase from the moss Physcomitrella patens catalyzes S-methylation of thiols and has a role in detoxification. PubMed: New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II. PubMed: Fabrication of nano-indented cavities on Au for the detection of chemically-adsorbed DTNB molecular probes through SERS effect. PubMed: Biotransformation of prasugrel, a novel thienopyridine antiplatelet agent, to the pharmacologically active metabolite. PubMed: Synthesis and characterization of toluene-3,4-dithiolatoantimony(III) derivatives with some oxygen and/or sulphur donor ligands. PubMed: Linker effects on monolayer formation and long-range electron transfer in helical peptide monolayers. PubMed: Anti-VEGF receptor antagonist (VGA1155) reduces infarction in rat permanent focal brain ischemia. PubMed: Cytotoxicity of triorganophosphinegold(i) complexes of thiobenzoate. PubMed: Determination of total and oxidized glutathione in human whole blood with a sequential injection analysis system. PubMed: Expeditious synthesis of steroids containing a 2-methylsulfanyl-acetyl side chain as potential glucocorticoid receptor imaging agents. PubMed: Colorimetric activity measurement of a recombinant putrescine N-methyltransferase from Datura stramonium. PubMed: Towards high capacity latex-coated porous polymer monoliths as ion-exchange stationary phases. PubMed: NMR spectra and dynamics of the sodium salt of per(6-thiobenzoic acid)-gamma-cyclodextrin. PubMed: 11C-Radiosynthesis and preliminary human evaluation of the disposition of the ACE inhibitor [11C]zofenoprilat. PubMed: A stereospecific colorimetric assay for (S,S)-adenosylmethionine quantification based on thiopurine methyltransferase-catalyzed thiol methylation. PubMed: Hydrogen peroxide-induced apoptosis of HL-60 human leukemia cells is mediated by the oxidants hypochlorous acid and chloramines. PubMed: Differential regulation of three catalytic activities of platelet-activating factor (PAF)-dependent transacetylase. PubMed: Fluorescence characterization of structural transitions at the strong actin binding motif in skeletal myosin affinity labeled at cysteine 540 with novel spectroscopic cysteaminyl mixed disulfides. PubMed: Quenching of beta-lactoglobulin fluorescence by 2-nitro-5-thiobenzoic acid. PubMed: Detection of nucleotide- and F-actin-induced movements in the switch II helix of the skeletal myosin using its differential oxidative cleavage mediated by an iron-EDTA complex disulfide-linked to the strong actin binding site. PubMed: Preparation of 2-nitro-5-thiobenzoic acid using immobilized Tris(2-carboxyethyl)phosphine. PubMed: Interaction of nitric oxide with 2-thio-5-nitrobenzoic acid: implications for the determination of free sulfhydryl groups by Ellman's reagent. PubMed: Roles for the two cysteine residues of AhpC in catalysis of peroxide reduction by alkyl hydroperoxide reductase from Salmonella typhimurium. PubMed: Determination of the myeloperoxidase-hydrogen peroxide-halide system activity following the respiratory burst of human neutrophils. PubMed: Analysis of disulfide-linked homo- and hetero-peptide dimers with a strong cation-exchange sulfoethyl aspartamide column. PubMed: Labeling of cysteine-containing peptides with 2-nitro-5-thiobenzoic acid. PubMed: Evidence for distinct sulfhydryl groups associated with steroid- and DNA-binding domains of rat thymus glucocorticoid receptors. PubMed: Inhibition of anion transport in human red blood cells by 5,5'-dithiobis(2-nitrobenzoic acid). PubMed: Crosslinking by thiol disulfide interchange of 5,5'-dithiobis(2-nitrobenzoic acid)-treated light chain and heavy chain of rabbit skeletal myosin. PubMed: Spectrophotometric determination of bromopyruvate by reaction with 2-nitro-5-thiobenzoic acid. PubMed: Aerobic oxidation of p-hydroquinone by horse radish peroxidase in the presence of a thiol and MnCl2. PubMed: A rapid assay for catechol oxidase and lactase using 2-nitro-5-thiobenzoic acid. PubMed: Photochemical transformations. XXX. Photolysis of thiobenzoic acid O-esters. I. Photolysis of O-cholesteryl thiobenzoate. PubMed: Determination of benzoyl bisulphide by desulphurisation and solvolysis.