Name: 2-Ethylsulfinylphenylboronic acid - ≥95% , CAS No.1072952-11-4
SKU: E179231
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Phenyl sulfoxides
Intermediate Tree Nodes	Not available
Direct Parent	Phenyl sulfoxides
Alternative Parents	Sulfoxides Boronic acids Sulfinyl compounds Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenyl sulfoxide - Sulfoxide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl 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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	198.050 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	198.052 Da
Monoisotopic Mass	198.052 Da
Topological Polar Surface Area	76.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calcolatori di soluzioni

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Recensioni

Sorrisi canonici	B(C1=CC=CC=C1S(=O)CC)(O)O
IUPAC Name	(2-ethylsulfinylphenyl)boronic acid
InChIKey	VAVMNEMOXWUMLP-UHFFFAOYSA-N
INCHI	1S/C8H11BO3S/c1-2-13(12)8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
Isomeri SMILES	B(C1=CC=CC=C1S(=O)CC)(O)O
PubChem CID	44754899
Peso molecolare	198

2-Ethylsulfinylphenylboronic acid - ≥95% , CAS No.1072952-11-4

Specifications