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2-(Ethylthio)benzeneboronic acid, 97% - ≥97%, high purity , CAS No.362045-33-8
Discover 2-(Ethylthio)benzeneboronic acid, 97% by Aladdin Scientific in ≥97% for only $45.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
362045-33-8 | 2-(ETHYLTHIO)PHENYLBORONIC ACID | 2-Ethylthiophenylboronic acid | (2-Ethylthiophenyl)boronic acid | (2-ethylsulfanylphenyl)boronic Acid | 2-(ETHYLTHIO)BENZENEBORONIC ACID | MFCD03095256 | C8H11BO2S | BORONIC ACID, [2-(ETHYLTHIO)PHENYL]- | SCHEMBL3066737 | 2-eth
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Boronic acids Sulfenyl compounds Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
(2-ethylsulfanylphenyl)boronic acid
INCHI
InChI=1S/C8H11BO2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey
SCGSNVLNGRYSAA-UHFFFAOYSA-N
Smiles
B(C1=CC=CC=C1SCC)(O)O
Isomeric SMILES
B(C1=CC=CC=C1SCC)(O)O
Molecular Weight
182.05
Reaxy-Rn
10533291
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10533291&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
182.050 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
182.057 Da
Monoisotopic Mass
182.057 Da
Topological Polar Surface Area
65.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
132.000
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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