Home Carboxys 5-Methylthiophene-3-carboxylic acid

5-Methylthiophene-3-carboxylic acid

CAS No.:
19156-50-4
Catalog Number:
AG002FBR
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$147
- +
5g
97%
In Stock USA
United States
$440
- +
10g
97%
In Stock USA
United States
$737
- +
Product Description
Catalog Number:
AG002FBR
Chemical Name:
5-Methylthiophene-3-carboxylic acid
CAS Number:
19156-50-4
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD01680229
IUPAC Name:
5-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
VFORWJLUXKGLAH-UHFFFAOYSA-N
SMILES:
Cc1scc(c1)C(=O)O
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:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties