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32427-84-2,MFCD08059888
Catalog No.:AA00C5OQ
32427-84-2 | 1-(2,5-dimethyl-3-thienyl)propan-1-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$37.00   $26.00
- +
5g
95%
in stock  
$118.00   $83.00
- +
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Technical Information
Catalog Number:
AA00C5OQ
Chemical Name:
1-(2,5-dimethyl-3-thienyl)propan-1-one
CAS Number:
32427-84-2
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD08059888
IUPAC Name:
1-(2,5-dimethylthiophen-3-yl)propan-1-one
InChI:
InChI=1S/C9H12OS/c1-4-9(10)8-5-6(2)11-7(8)3/h5H,4H2,1-3H3
InChI Key:
FFXXALUAXRWQPV-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(sc1C)C
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
32427-84-2 
1-(2,5-Dimethylthiophen-3-yl)propan-1-one 
AJ-71265 
1-(2,5-Dimethyl-3-thienyl)-1-propanone 
Y-3455 
CHEMBRDG-BB4012560 
1-(2,5-DIMETHYL-3-THIENYL)PROPAN-1-ONE 
CTK4G8679 
DTXSID50650857 
CHEMBRDG-BB 4012560 
MFCD08059888 
ZINC19089777 
AKOS009163888 
MCULE-8941281209 
Literature
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