Home Carboxys 4-Methyl-5-phenylthiophene-2-carboxylic acid

4-Methyl-5-phenylthiophene-2-carboxylic acid

CAS No.:
40133-12-8
Catalog Number:
AG007526
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG007526
Chemical Name:
4-Methyl-5-phenylthiophene-2-carboxylic acid
CAS Number:
40133-12-8
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
MDL Number:
MFCD01830424
IUPAC Name:
4-methyl-5-phenylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H10O2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChI Key:
HBQAYKRLPQFBBP-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1c1ccccc1)C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties