Name: Name:2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
Brand: Angene
SKU: AG00ID1V
Rating: 90 (10 reviews)

2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid

CAS No.:

795290-92-5

Catalog Number:

AG00ID1V

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

Catalog Number:

AG00ID1V

Chemical Name:

2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid

CAS Number:

795290-92-5

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

MDL Number:

MFCD06368757

IUPAC Name:

2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C14H13NO2S/c1-9-5-6-10(2)12(8-9)18-13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)

InChI Key:

AEAZUZWTSYGEJY-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)Sc1ncccc1C(=O)O)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.323g/mol

Monoisotopic Mass:

259.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5