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Home Carboxys 5-Methyl-2-thiophenecarboxylic acid

5-Methyl-2-thiophenecarboxylic acid

CAS No.:
1918-79-2
Catalog Number:
AG002FH7
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$113
- +
500g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG002FH7
Chemical Name:
5-Methyl-2-thiophenecarboxylic acid
CAS Number:
1918-79-2
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD00005439
IUPAC Name:
5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
VCNGNQLPFHVODE-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(=O)O
EC Number:
217-640-3
NSC Number:
89698
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
catena-Poly[[trimethyl-tin(IV)]-μ-5-methyl-thio-phene-2-carboxyl-ato-κO:O']. Acta crystallographica. Section E, Structure reports online 20111201
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties