Thiosalicylic acid - CAS 147-93-3
Catalog: |
BB010248 |
Product Name: |
Thiosalicylic acid |
CAS: |
147-93-3 |
Synonyms: |
2-sulfanylbenzoic acid |
IUPAC Name: | 2-sulfanylbenzoic acid |
Description: | A trapping agent used in the desulfenylation of 3-indolyl sulfides. |
Molecular Weight: | 154.19 |
Molecular Formula: | C7H6O2S |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)S |
InChI: | InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9) |
InChI Key: | NBOMNTLFRHMDEZ-UHFFFAOYSA-N |
Boiling Point: | 288.6 °C at 760 mmHg |
Melting Point: | 164-169°C |
Flash Point: | 150°C |
Purity: | 99 % |
Density: | 1.318 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | 0-6°C |
MDL: | MFCD00004836 |
LogP: | 1.67350 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
Vapor Pressure: | 0.00979mmHg at 25°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
24560625 | 20140505 | Selective binding of naphthoquinone derivatives to serum albumin proteins and their effects on cytotoxicity | Chemico-biological interactions |
22850849 | 20120801 | A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands | Acta crystallographica. Section C, Crystal structure communications |
22402746 | 20120421 | Palladium-catalyzed S-benzylation of unprotected mercaptobenzoic acid with benzyl alcohols in water | Organic & biomolecular chemistry |
21986997 | 20120201 | Novel palladium(II) complexes containing a sulfur ligand: structure and biological activity on HeLa cells | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
22015977 | 20120201 | Administration of thimerosal to infant rats increases overflow of glutamate and aspartate in the prefrontal cortex: protective role of dehydroepiandrosterone sulfate | Neurochemical research |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0088506 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0088506 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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