Name: Name:3-Pyridinecarboxylic acid, 2-[[2-(phenylsulfonyl)ethyl]thio]-
Brand: Angene
SKU: AG0020II
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 2-[[2-(phenylsulfonyl)ethyl]thio]-

CAS No.:

175203-21-1

Catalog Number:

AG0020II

Molecular Formula:

C14H13NO4S2

Molecular Weight:

323.3873

Catalog Number:

AG0020II

Chemical Name:

3-Pyridinecarboxylic acid, 2-[[2-(phenylsulfonyl)ethyl]thio]-

CAS Number:

175203-21-1

Molecular Formula:

C14H13NO4S2

Molecular Weight:

323.3873

MDL Number:

MFCD00068041

IUPAC Name:

2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C14H13NO4S2/c16-14(17)12-7-4-8-15-13(12)20-9-10-21(18,19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)

InChI Key:

LYXDTDBDUWKOQF-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.381g/mol

Monoisotopic Mass:

323.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2