4-(Ethylthio)benzeneboronic acid - ≥98% , CAS No.145349-76-4

CAS: 145349-76-4 Cat. No.: E120059 Formula: C₈H₁₁BO₂S Peso molecolare: 182.05 Beilstein Registry Number: 8763159 Numero EC: 681-071-0

GRADE & PURITY ≥98%

Synonyms

[4-(ethylthio)phenyl]boronic acid | Boronic acid, [4-(ethylthio)phenyl]- | A808354 | LMUASBOUSAMURX-UHFFFAOYSA-N | AM20080726 | FT-0616773 | AKOS005254505 | SCHEMBL2112431 | Boronic acid, B-[4-(ethylthio)phenyl]- | DTXSID90370244 | 4-Ethylthiophenylboroni

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

[4-(ethylthio)phenyl]boronic acid | Boronic acid, [4-(ethylthio)phenyl]- | A808354 | LMUASBOUSAMURX-UHFFFAOYSA-N | AM20080726 | FT-0616773 | AKOS005254505 | SCHEMBL2112431 | Boronic acid, B-[4-(ethylthio)phenyl]- | DTXSID90370244 | 4-Ethylthiophenylboroni

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488192553

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192553

Sorrisi canonici

B(C1=CC=C(C=C1)SCC)(O)O

IUPAC Name

(4-ethylsulfanylphenyl)boronic acid

InChIKey

LMUASBOUSAMURX-UHFFFAOYSA-N

INCHI

1S/C8H11BO2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3

Isomeri SMILES

B(C1=CC=C(C=C1)SCC)(O)O

Peso molecolare

182.05

Beilstein

8763159

Reaxy-Rn

8763159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8763159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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 Organoboron 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 salt - Organoboron compound - Aromatic homomonocyclic compound
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 132-136℃
• Peso molecolare: 182.050 g/mol
• 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: 124.000
• 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

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 145349-76-4, the molecular formula is C8H11BO2S, and the molecular weight is 182.05 g/mol. InChIKey LMUASBOUSAMURX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.