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100704-38-9,MFCD23144118
Catalog No.:AA0002M6
100704-38-9 | 2-Thiophenecarboxylic acid, 4-(methylsulfonyl)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$446.00   $312.00
- +
500mg
95.0%
3 weeks  
$771.00   $540.00
- +
1g
95.0%
3 weeks  
$971.00   $680.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002M6
Chemical Name:
2-Thiophenecarboxylic acid, 4-(methylsulfonyl)-
CAS Number:
100704-38-9
Molecular Formula:
C6H6O4S2
Molecular Weight:
206.2394
MDL Number:
MFCD23144118
IUPAC Name:
4-methylsulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O4S2/c1-12(9,10)4-2-5(6(7)8)11-3-4/h2-3H,1H3,(H,7,8)
InChI Key:
YCQZXJWBSJMXJG-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.971g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.23g/mol
Monoisotopic Mass:
205.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
4-methanesulfonylthiophene-2-carboxylic acid 
100704-38-9 
NE34879 
4-(Methanesulfonyl)thiophene-2-carboxylic acid 
Z1569708695 
2-Thiophenecarboxylic acid, 4-(methylsulfonyl)- 
ACMC-20m3s8 
SCHEMBL7892535 
CTK0E0005 
DTXSID70566885 
ZINC34426850 
AKOS026728895 
MCULE-8654555176 
Literature
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