Home Carboxys Thiophene-3-carboxylic acid

Thiophene-3-carboxylic acid

CAS No.:
88-13-1
Catalog Number:
AG0033SA
Molecular Formula:
C5H4O2S
Molecular Weight:
128.1491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0033SA
Chemical Name:
Thiophene-3-carboxylic acid
CAS Number:
88-13-1
Molecular Formula:
C5H4O2S
Molecular Weight:
128.1491
MDL Number:
MFCD00005467
IUPAC Name:
thiophene-3-carboxylic acid
InChI:
InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChI Key:
YNVOMSDITJMNET-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1
EC Number:
201-802-5
UNII:
6V3012Q6BE
NSC Number:
66314
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.993g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.145g/mol
Monoisotopic Mass:
127.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Oriented polythiophene nanofibers grown from CdTe quantum dot surfaces. 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
Properties