2-Thiopheneglyoxylic acid - CAS 4075-59-6
Catalog: |
BB024652 |
Product Name: |
2-Thiopheneglyoxylic acid |
CAS: |
4075-59-6 |
Synonyms: |
2-oxo-2-thiophen-2-ylacetic acid |
IUPAC Name: | 2-oxo-2-thiophen-2-ylacetic acid |
Description: | 2-Thiopheneglyoxylic acid (CAS# 4075-59-6) is a reactant used in the synthesis of leukotriene biosynthesis inhibitors used in the treatment of asthma and allergy responses in people. |
Molecular Weight: | 156.16 |
Molecular Formula: | C6H4O3S |
Canonical SMILES: | C1=CSC(=C1)C(=O)C(=O)O |
InChI: | InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9) |
InChI Key: | GIWRVUADKUVEGU-UHFFFAOYSA-N |
Boiling Point: | 274.2 °C at 760 mmHg |
Melting Point: | 89-95 °C |
Purity: | 98 % |
Density: | 1.486 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture. |
MDL: | MFCD00005441 |
LogP: | 1.01540 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111205266-A | Synthetic method of 2-thiopheneacetic acid | 20200117 |
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PMID | Publication Date | Title | Journal |
21589367 | 20101106 | 2-Oxo-2-(2-thien-yl)acetic acid | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15828330 | 20041201 | [Study on the synthesis, characterization of structure and fluorescence properties of the solid complex of europium ion with 1,10-phenanthroline and 2-thiopheneglyoxylic acid] | Guang pu xue yu guang pu fen xi = Guang pu |
11459664 | 20010723 | alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases | Bioorganic & medicinal chemistry letters |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.98811516 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.98811516 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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