CAS 5470-49-5 | 4-(Methylsulfonyl)aniline | CAS Number 5470-49-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 5470-49-5

5470-49-5 | 4-(Methylsulfonyl)aniline

CAS No: 5470-49-5 Catalog No: AG003LSS MDL No:MFCD00025353

Product Description

Catalog Number:

AG003LSS

Chemical Name:

4-(Methylsulfonyl)aniline

CAS Number:

5470-49-5

Molecular Formula:

C7H9NO2S

Molecular Weight:

171.2169

MDL Number:

MFCD00025353

IUPAC Name:

4-methylsulfonylaniline

InChI:

InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChI Key:

XJEVFFNOMKXBLU-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)S(=O)(=O)C

EC Number:

226-803-8

Properties

Complexity:

209

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.214g/mol

Monoisotopic Mass:

171.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Design, synthesis and preliminary pharmacological evaluation of new non-steroidal anti-inflammatory agents having a 4-(methylsulfonyl) aniline pharmacophore.	Molecules (Basel, Switzerland) 20120210
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501