Name: Name:3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-
Brand: Angene
SKU: AG006QCT
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-

CAS No.:

91718-65-9

Catalog Number:

AG006QCT

Molecular Formula:

C13H11NO2S

Molecular Weight:

245.2969

Catalog Number:

AG006QCT

Chemical Name:

3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-

CAS Number:

91718-65-9

Molecular Formula:

C13H11NO2S

Molecular Weight:

245.2969

MDL Number:

MFCD00446222

IUPAC Name:

6-methyl-2-phenylsulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C13H11NO2S/c1-9-7-8-11(13(15)16)12(14-9)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)

InChI Key:

XHFRWZHWRQHZET-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(n1)Sc1ccccc1)C(=O)O

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.296g/mol

Monoisotopic Mass:

245.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2