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88-13-1,MFCD00005467
Catalog No.:AA0033PI

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$18.00   $13.00
- +
25g
97%
in stock  
$32.00   $23.00
- +
100g
97%
in stock  
$112.00   $78.00
- +
500g
98%
in stock  
$535.00 $375.00
  • Technical Information
  • Properties
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033PI
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
Properties
Properties
 
BP:
271°C at 760 mmHg  
Form:
Solid  
MP:
136-141 °C(lit.);  
Refractive Index:
1.5160 (estimate)  
Solubility:
water: soluble0.2g/10 mL, clear to almost clear, colorless to slightly brownish-yellow  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
103  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature

Title: Oriented polythiophene nanofibers grown from CdTe quantum dot surfaces.

Journal: Small (Weinheim an der Bergstrasse, Germany) 20120423

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

Journal: Bioorganic & medicinal chemistry 20110415

Title: Synthesis and photovoltaic properties of ester group functionalized polythiophene derivatives.

Journal: Macromolecular rapid communications 20110316

Title: Practical preparation of ethyl 2-methylthiophene-3-carboxylate.

Journal: Chemical & pharmaceutical bulletin 20110101

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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

Journal: Journal of molecular graphics & modelling 20100226

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

Journal: Journal of computational chemistry 20100201

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

Journal: Acta crystallographica. Section E, Structure reports online 20091201

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

Journal: International journal of molecular sciences 20080301

Title: Toward a magnetostructural correlation for a family of Mn6 SMMs.

Journal: Journal of the American Chemical Society 20071017

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

Journal: Inorganic chemistry 20051212

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Mutasynthesis of enterocin and wailupemycin analogues.

Journal: Journal of the American Chemical Society 20030806

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

Journal: Journal of medicinal chemistry 20030508

Application
3-Thiophenecarboxylic acid is utilized in the synthesis of various compounds, including a novel acetylene monomer crucial for poly(2-methylbut-2-enyl thiophene-3-carboxylate) synthesis and oxazolines and oxazoles.
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SDS
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Tags:88-13-1 Molecular Formula|88-13-1 MDL|88-13-1 SMILES|88-13-1 Thiophene-3-carboxylic acid
Catalog No.: AA0033PI
88-13-1,MFCD00005467
88-13-1 | Thiophene-3-carboxylic acid
Pack Size： 5g
Purity： 97%
in stock
$18.00 $13.00
Pack Size： 25g
Purity： 97%
in stock
$32.00 $23.00
Pack Size： 100g
Purity： 97%
in stock
$112.00 $78.00
Pack Size： 500g
Purity： 98%
in stock
$535.00 $375.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0033PI
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
Properties
BP: 271°C at 760 mmHg  
Form: Solid  
MP: 136-141 °C(lit.);  
Refractive Index: 1.5160 (estimate)  
Solubility: water: soluble0.2g/10 mL, clear to almost clear, colorless to slightly brownish-yellow  
Storage: Keep in dry area;Room Temperature;  
Complexity: 103  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Literature fold

Title: Oriented polythiophene nanofibers grown from CdTe quantum dot surfaces.

Journal: Small (Weinheim an der Bergstrasse, Germany)20120423

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

Journal: Bioorganic & medicinal chemistry20110415

Title: Synthesis and photovoltaic properties of ester group functionalized polythiophene derivatives.

Journal: Macromolecular rapid communications20110316

Title: Practical preparation of ethyl 2-methylthiophene-3-carboxylate.

Journal: Chemical & pharmaceutical bulletin20110101

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

Journal: Bioorganic & medicinal chemistry letters20101101

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

Journal: Journal of molecular graphics & modelling20100226

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

Journal: Journal of computational chemistry20100201

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

Journal: Acta crystallographica. Section E, Structure reports online20091201

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

Journal: International journal of molecular sciences20080301

Title: Toward a magnetostructural correlation for a family of Mn6 SMMs.

Journal: Journal of the American Chemical Society20071017

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

Journal: Inorganic chemistry20051212

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology20050601

Title: Mutasynthesis of enterocin and wailupemycin analogues.

Journal: Journal of the American Chemical Society20030806

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

Journal: Journal of medicinal chemistry20030508

Application fold 
3-Thiophenecarboxylic acid is utilized in the synthesis of various compounds, including a novel acetylene monomer crucial for poly(2-methylbut-2-enyl thiophene-3-carboxylate) synthesis and oxazolines and oxazoles.
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212189-78-1
895649-99-7
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