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2-Phenylthiophene

CAS No.:
825-55-8
Catalog Number:
AG003HVZ
Molecular Formula:
C10H8S
Molecular Weight:
160.2355
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$45
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003HVZ
Chemical Name:
2-Phenylthiophene
CAS Number:
825-55-8
Molecular Formula:
C10H8S
Molecular Weight:
160.2355
MDL Number:
MFCD00130080
IUPAC Name:
2-phenylthiophene
InChI:
InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChI Key:
PJRGDKFLFAYRBV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccs1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.234g/mol
Monoisotopic Mass:
160.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes. Chemistry, an Asian journal 20120601
Excited-state dynamics and efficient triplet formation in phenylthiophene compounds. Physical chemistry chemical physics : PCCP 20120514
Preparation and acid-responsive photophysical properties of T-shaped π-conjugated molecules containing a benzimidazole junction. Chemistry, an Asian journal 20111104
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
A computational study of photochemical isomerization reactions of thiophenes. Journal of computational chemistry 20100115
Inhibition of iNOS and COX-2 in human whole blood ex vivo and monocyte-macrophage J774 cells by a new group of aminothiopyrimidone derivatives. Bioorganic & medicinal chemistry 20090301
Phosphorescent platinum acetylide organogelators. Journal of the American Chemical Society 20080227
Structure-activity relationship development of dihaloaryl triazole compounds as insecticides and acaricides. 1. Phenyl thiophen-2-yl triazoles. Journal of agricultural and food chemistry 20070905
FTY720 story. Its discovery and the following accelerated development of sphingosine 1-phosphate receptor agonists as immunomodulators based on reverse pharmacology. Perspectives in medicinal chemistry 20070101
Phenylthiophene-dipicolinic acid-based emitters with strong solution blue and solid state green emission. The journal of physical chemistry. B 20061228
First evidence that cytochrome P450 may catalyze both S-oxidation and epoxidation of thiophene derivatives. Biochemical and biophysical research communications 20051209
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties