88-13-1 | Thiophene-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	98%	in stock	$8.00	$5.00
10g	98%	in stock	$13.00	$9.00
25g	98%	in stock	$28.00	$19.00
100g	98%	in stock	$100.00	$70.00
500g	98%	in stock	$485.00	$339.00

Description

• Catalog Number: AB44674
• Chemical Name: Thiophene-3-carboxylic acid
• CAS Number: 88-13-1
• Molecular Formula: C5H4O2S
• Molecular Weight: 128.1491
• MDL Number: MFCD00005467
• SMILES: OC(=O)c1cscc1
• NSC Number: 66314

Computed Properties

• Complexity: 103
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.5

Literature

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  Small (Weinheim an der Bergstrasse, Germany) 20120423

• Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase.

  Bioorganic & medicinal chemistry 20110415

• Synthesis and photovoltaic properties of ester group functionalized polythiophene derivatives.

  Macromolecular rapid communications 20110316

• Practical preparation of ethyl 2-methylthiophene-3-carboxylate.

  Chemical & pharmaceutical bulletin 20110101

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Differential reactivity of thiophene-2-carboxylic and thiophene-3-carboxylic acids: Results from DFT and Hartree-Fock theory.

  Journal of molecular graphics & modelling 20100226

• Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal.

  Journal of computational chemistry 20100201

• Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.

  Acta crystallographica. Section E, Structure reports online 20091201

• Synthesis and characterization of polyacetylene with side-chain thiophene functionality.

  International journal of molecular sciences 20080301

• Toward a magnetostructural correlation for a family of Mn6 SMMs.

  Journal of the American Chemical Society 20071017

• New metal-organic polygons involving MM quadruple bonds: M8(O2CtBu)4(mu-SC4H2-3,4-{CO2}2)6 (M=Mo, W).

  Inorganic chemistry 20051212

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601

• Mutasynthesis of enterocin and wailupemycin analogues.

  Journal of the American Chemical Society 20030806

• 2-Amino-3-benzoylthiophene allosteric enhancers of A1 adenosine agonist binding: new 3, 4-, and 5-modifications.

  Journal of medicinal chemistry 20030508