Name: Name:2-((2,4-dimethoxybenzyl)thio)nicotinic acid
Brand: Angene
SKU: AG01DJJB
Rating: 90 (10 reviews)

2-((2,4-dimethoxybenzyl)thio)nicotinic acid

CAS No.:

181823-27-8

Catalog Number:

AG01DJJB

Molecular Formula:

C15H15NO4S

Molecular Weight:

305.3489

Catalog Number:

AG01DJJB

Chemical Name:

2-((2,4-dimethoxybenzyl)thio)nicotinic acid

CAS Number:

181823-27-8

Molecular Formula:

C15H15NO4S

Molecular Weight:

305.3489

MDL Number:

MFCD31555248

IUPAC Name:

2-[(2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C15H15NO4S/c1-19-11-6-5-10(13(8-11)20-2)9-21-14-12(15(17)18)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)

InChI Key:

GYPIIWGYDJKDHT-UHFFFAOYSA-N

SMILES:

COc1cc(OC)ccc1CSc1ncccc1C(=O)O

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.348g/mol

Monoisotopic Mass:

305.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7