3-Thiopheneacetic acid - CAS 6964-21-2
Catalog: |
BB033908 |
Product Name: |
3-Thiopheneacetic acid |
CAS: |
6964-21-2 |
Synonyms: |
2-thiophen-3-ylacetic acid |
IUPAC Name: | 2-thiophen-3-ylacetic acid |
Description: | 3-Thiopheneacetic acid (CAS# 6964-21-2) is a reagent for the design of mediated enzymatic fuel cell to generate electrical energy (2). |
Molecular Weight: | 142.18 |
Molecular Formula: | C6H6O2S |
Canonical SMILES: | C1=CSC=C1CC(=O)O |
InChI: | InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
InChI Key: | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
Boiling Point: | 274.3 °C at 760 mmHg |
Melting Point: | 77-80 °C |
Purity: | > 98.0 % (T) |
Density: | 1.336 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00005473 |
LogP: | 1.37520 |
GHS Hazard Statement: | H314 (13.64%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22493452 | 20120601 | Polythiophenes inhibit prion propagation by stabilizing prion protein (PrP) aggregates | The Journal of biological chemistry |
22302165 | 20120401 | Electrochemically synthesized polymers in molecular imprinting for chemical sensing | Analytical and bioanalytical chemistry |
22332777 | 20120313 | From chain collapse to new structures: spectroscopic properties of poly(3-thiophene acetic acid) upon binding by alkyl trimethylammonium bromide surfactants | Langmuir : the ACS journal of surfaces and colloids |
20593071 | 20100821 | Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(III) complexes | Dalton transactions (Cambridge, England : 2003) |
20203352 | 20100326 | Selective sensing of volatile organic compounds using novel conducting polymer-metal nanoparticle hybrids | Nanotechnology |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.00885060 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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