Home Other Building Blocks 5-(2-Methylthiophenyl)nicotinic acid

5-(2-Methylthiophenyl)nicotinic acid

CAS No.:
1261964-02-6
Catalog Number:
AG000S9I
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG000S9I
Chemical Name:
5-(2-Methylthiophenyl)nicotinic acid
CAS Number:
1261964-02-6
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD18317425
IUPAC Name:
5-(2-methylsulfanylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO2S/c1-17-12-5-3-2-4-11(12)9-6-10(13(15)16)8-14-7-9/h2-8H,1H3,(H,15,16)
InChI Key:
JWTQHAHPYZFVKZ-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1cncc(c1)C(=O)O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties