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3-(Methanesulfonylamino)benzonitrile - ≥97%, high purity , CAS No.50790-30-2

COA

Grade & Purity:

≥97%

Cas Number: 50790-30-2
PubChem CID: 3696153

In stock

Item Number

B708818

Grouped product items
SKU	Size	Availability	Price	Qty
B708818-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Sulfanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Sulfanilides
Intermediate Tree Nodes	Not available
Direct Parent	Sulfanilides
Alternative Parents	Benzonitriles Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Sulfanilide - Benzonitrile - Organosulfonic acid amide - Organic sulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
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

Names and Identifiers

IUPAC Name	N-(3-cyanophenyl)methanesulfonamide
INCHI	InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
InChIKey	CNTYWEJSOJXQKO-UHFFFAOYSA-N
Smiles	CS(=O)(=O)NC1=CC=CC(=C1)C#N
Isomeric SMILES	CS(=O)(=O)NC1=CC=CC(=C1)C#N
Alternate CAS	50790-30-2
PubChem CID	3696153

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.230 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	196.031 Da
Monoisotopic Mass	196.031 Da
Topological Polar Surface Area	78.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	309.000
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	1

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