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67237-53-0,MFCD04039973
Catalog No.:AA003JC4
67237-53-0 | 3-Ethynylthiophene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$21.00   $15.00
- +
5g
95%
in stock  
$82.00   $57.00
- +
10g
95%
in stock  
$134.00   $94.00
- +
25g
95%
in stock  
$295.00   $206.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JC4
Chemical Name:
3-Ethynylthiophene
CAS Number:
67237-53-0
Molecular Formula:
C6H4S
Molecular Weight:
108.1610
MDL Number:
MFCD04039973
IUPAC Name:
3-ethynylthiophene
InChI:
InChI=1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
InChI Key:
MJHLPKWONJUCFK-UHFFFAOYSA-N
SMILES:
C#Cc1cscc1
Properties
Computed Properties
 
Complexity:
98  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.003g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.158g/mol
Monoisotopic Mass:
108.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title: Synthesis of novel antimitotic agents based on 2-amino-3-aroyl-5-(hetero)arylethynyl thiophene derivatives.

Journal: Bioorganic & medicinal chemistry letters 20110501

Title: Ethynyl pi-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties.

Journal: Organic & biomolecular chemistry 20041121

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