Name: 2-(Methylsulfonyl)aniline, HCl - ≥98% , CAS No.205985-95-1
Price: 35.9 USD
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Aniline and substituted anilines Sulfones Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Aniline or substituted anilines - Sulfone - Sulfonyl - Amine - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organopnictogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	207.680 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	207.012 Da
Monoisotopic Mass	207.012 Da
Topological Polar Surface Area	68.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	217.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CS(=O)(=O)C1=CC=CC=C1N.Cl
IUPAC Name	2-methylsulfonylaniline;hydrochloride
InChIKey	MEUQLZQZRWBBHV-UHFFFAOYSA-N
INCHI	1S/C7H9NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
Isómeros SMILES	CS(=O)(=O)C1=CC=CC=C1N.Cl
Peso molecular	207.7
Reaxy-Rn	3701894
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3701894&ln=

Specifications

Documentation