Cas no 6263-62-3 (Benzene,[(ethylthio)methyl]-)

Benzene,[(ethylthio)methyl]- is an organosulfur compound characterized by a benzene ring substituted with an ethylthio-methyl functional group. This structure imparts unique reactivity and solubility properties, making it valuable in synthetic organic chemistry, particularly in the development of sulfur-containing intermediates. The ethylthioether moiety enhances its utility in nucleophilic substitution reactions and as a precursor for more complex sulfur-based compounds. Its stability under mild conditions allows for versatile applications in pharmaceuticals, agrochemicals, and material science. The compound's defined molecular structure ensures consistent performance in reactions, facilitating precise synthetic pathways. Proper handling is required due to potential sensitivity to oxidation.
Benzene,[(ethylthio)methyl]- structure
Benzene,[(ethylthio)methyl]- structure
Product Name:Benzene,[(ethylthio)methyl]-
CAS No:6263-62-3
MF:C9H12S
MW:152.256581306458
CID:507173
PubChem ID:80431
Update Time:2025-10-19

Benzene,[(ethylthio)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,[(ethylthio)methyl]-
    • BENZYL ETHYL SULPHIDE
    • 1-Phenyl-2-thiabutane
    • Aethyl-benzyl-sulfid
    • Benzyl ethyl sulfide
    • Ethyl benzyl sulfide
    • ethylsulfanylmethyl-benzene
    • sulfide,benzylethyl
    • MDL: MFCD00026973
    • Inchi: 1S/C9H12S/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
    • InChI Key: NTAIOEZEVLVLLW-UHFFFAOYSA-N
    • SMILES: S(CC)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 152.06600
  • Monoisotopic Mass: 152.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 74.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.3A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.0120 (estimate)
  • Boiling Point: 234.76°C (estimate)
  • Flash Point: 78.7°C
  • Refractive Index: 1.5493 (estimate)
  • PSA: 25.30000
  • LogP: 2.93970

Benzene,[(ethylthio)methyl]- Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25

Benzene,[(ethylthio)methyl]- Pricemore >>

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Additional information on Benzene,[(ethylthio)methyl]-

Benzene,[(Ethylthio)Methyl]-: A Comprehensive Overview

Benzene,[(ethylthio)methyl]-, also known by its CAS number 6263-62-3, is a chemical compound that has garnered significant attention in various scientific and industrial fields. This compound is a derivative of benzene, a fundamental aromatic hydrocarbon, with a [(ethylthio)methyl] substituent attached to the benzene ring. The structure of this compound can be represented as C?H?-S(CH?CH?)CH?, where the sulfur atom bridges the benzene ring and the ethyl group. This unique structure imparts distinct chemical and physical properties to the compound, making it valuable for a wide range of applications.

The synthesis of Benzene,[(ethylthio)methyl]- typically involves the reaction of benzene with an appropriate thiol derivative under specific conditions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of such compounds. For instance, researchers have explored the use of transition metal catalysts to facilitate coupling reactions between benzene and thiol-containing reagents. These methods not only enhance the yield but also reduce the environmental impact compared to traditional synthesis routes.

One of the most notable applications of Benzene,[(ethylthio)methyl]- lies in its role as an intermediate in organic synthesis. Its sulfur-containing group makes it particularly useful in the preparation of biologically active molecules and advanced materials. For example, studies have shown that this compound can serve as a precursor for synthesizing novel antibiotics and antiviral agents. The sulfur atom in its structure plays a crucial role in enabling these compounds to interact with biological targets effectively.

In addition to its role in drug development, Benzene,[(ethylthio)methyl]- has also found applications in materials science. Its aromatic ring provides stability and electronic properties that are desirable in the development of new polymers and composites. Recent research has focused on incorporating this compound into polymer matrices to enhance their thermal stability and mechanical strength. Such advancements hold promise for its use in high-performance materials for aerospace and automotive industries.

The chemical properties of Benzene,[(ethylthio)methyl]- are heavily influenced by its functional groups. The benzene ring contributes aromatic stability, while the [(ethylthio)methyl] group introduces sulfur-based reactivity. This combination makes the compound versatile in various chemical transformations. For instance, it can undergo nucleophilic substitution reactions due to the presence of the sulfur atom, which is highly nucleophilic under certain conditions.

From an environmental perspective, understanding the fate and behavior of Benzene,[(ethylthio)methyl]- in natural systems is crucial for assessing its potential impact on ecosystems. Recent studies have investigated its biodegradation pathways under aerobic and anaerobic conditions. These studies reveal that microorganisms can metabolize this compound through oxidative mechanisms, leading to its eventual breakdown into less complex molecules.

In conclusion, Benzene,[(ethylthio)methyl]- (CAS 6263-62-3) is a multifaceted compound with diverse applications across various scientific domains. Its unique structure enables it to serve as an intermediate in drug development and materials science while exhibiting interesting chemical reactivity. As research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in both academic and industrial settings.

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