Home Other Building Blocks 2-Chlorothiophene

2-Chlorothiophene

CAS No.:
96-43-5
Catalog Number:
AG0033FZ
Molecular Formula:
C4H3ClS
Molecular Weight:
118.5846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0033FZ
Chemical Name:
2-Chlorothiophene
CAS Number:
96-43-5
Molecular Formula:
C4H3ClS
Molecular Weight:
118.5846
MDL Number:
MFCD00005421
IUPAC Name:
2-chlorothiophene
InChI:
InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChI Key:
GSFNQBFZFXUTBN-UHFFFAOYSA-N
SMILES:
Clc1cccs1
EC Number:
202-505-3
UNII:
3EVV74IJN6
NSC Number:
8747
Properties
Complexity:
46.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.964g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.578g/mol
Monoisotopic Mass:
117.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
β-D-glucosyl conjugates of highly potent inhibitors of blood coagulation factor Xa bearing 2-chorothiophene as a P1 motif. ChemMedChem 20120901
Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes. Chemistry, an Asian journal 20120601
Positive and negative photoion spectroscopy study of monochlorothiophenes. The journal of physical chemistry. A 20111013
(2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,3-dimeth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20111001
(2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20110801
Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers. Chemistry Central journal 20110101
Entering the era of non-basic p1 site groups: discovery of Xarelto (Rivaroxaban). Current topics in medicinal chemistry 20100101
In vitro metabolism of rivaroxaban, an oral, direct factor Xa inhibitor, in liver microsomes and hepatocytes of rats, dogs, and humans. Drug metabolism and disposition: the biological fate of chemicals 20090501
Emergence of new oral antithrombotics: a critical appraisal of their clinical potential. Vascular health and risk management 20081201
Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3- [4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene- 2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor. Journal of medicinal chemistry 20050922
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. Journal of medicinal chemistry 20030227
Properties