thiobenzoic acid
benzoic acid, thio-
Identification
| Name | thiobenzoic acid |
| IUPAC | benzenecarbothioic S-acid |
| CAS Number | 98-91-9 |
| EINECS | 202-712-9 |
| FDA UNII | GBG5RLO56N |
| Molecular Formula | C7 H6 O S |
| Molecular Weight | 138.18902000 |
| MDL Number | MFCD00004852 |
| Nikkaji Number | J60.351A |
| Beilstein | 2039640 |
| XlogP3 | 2.40 (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 SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LDLo 250 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | pharmaceuticals / chemical synthisis |
| Recommendation for thiobenzoic acid usage levels up to | not for fragrance use. |
| Recommendation for thiobenzoic acid flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
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.