3-Thiopheneacetic acid - CAS 6964-21-2

Name: 3-Thiopheneacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

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