Cas no 7022-45-9 (2-(Methylthio)benzaldehyde)

2-(Methylthio)benzaldehyde is a sulfur-containing aromatic aldehyde with the molecular formula C?H?OS. This compound features a methylthio (-SCH?) substituent at the ortho position of the benzaldehyde ring, imparting unique reactivity and applications in organic synthesis. It serves as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals, particularly in heterocyclic and sulfur-based compound synthesis. The methylthio group enhances electron density, influencing regioselectivity in reactions such as nucleophilic additions or condensations. Its distinct structural properties make it valuable for constructing complex molecular frameworks. The compound is typically supplied as a clear to pale yellow liquid with a characteristic odor, requiring storage under inert conditions to maintain stability.
2-(Methylthio)benzaldehyde structure
2-(Methylthio)benzaldehyde structure
Product Name:2-(Methylthio)benzaldehyde
CAS No:7022-45-9
MF:C8H8OS
MW:152.213521003723
MDL:MFCD00196822
CID:571631
PubChem ID:160871148
Update Time:2025-05-20

2-(Methylthio)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,2-(methylthio)-
    • 2-(Methylthio)benzaldehyde
    • 2-methylsulfanylbenzaldehyde
    • 2-(methylthio) Benzaldehyde
    • benzaldehyde, 2-(methylthio)-
    • NSC144623
    • PubChem10676
    • 2-(methylthio)-benzaldehyde
    • 2-methylsulfanyl-benzaldehyde
    • 2-methylmercapto-benzaldehyde
    • 2-(methylsulfanyl)benzaldehyde
    • XIOBUABQJIVPCQ-UHFFFAOYSA-N
    • 2-(methylsulfanyl)benzenecarbaldehyde
    • 2-Methylthio Benzaldehyde
    • AKOS009157429
    • MFCD00196822
    • 2-(Methylthio)benzaldehyde, 90%
    • J-506484
    • 7022-45-9
    • STR05859
    • AC-16446
    • NSC-144623
    • CS-0006413
    • FT-0636335
    • M2094
    • A15992
    • NS00062238
    • DTXSID70301596
    • SCHEMBL173014
    • T72851
    • (Methylthio)benzaldehyde
    • 71750-42-0
    • DB-019520
    • MDL: MFCD00196822
    • Inchi: 1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
    • InChI Key: XIOBUABQJIVPCQ-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC=CC=1C=O

Computed Properties

  • Exact Mass: 152.03000
  • Monoisotopic Mass: 152.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 114
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9
  • Topological Polar Surface Area: 42.4

Experimental Properties

  • Density: 1.18?g/mL?at 25?°C(lit.)
  • Boiling Point: 149°C/16mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.633(lit.)
  • PSA: 42.37000
  • LogP: 2.22100

2-(Methylthio)benzaldehyde Security Information

  • Hazardous Material transportation number:UN 3334
  • WGK Germany:3
  • Storage Condition:0-10°C

2-(Methylthio)benzaldehyde Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(Methylthio)benzaldehyde Pricemore >>

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2-(Methylthio)benzaldehyde Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:7022-45-9)2-(Methylthio)benzaldehyde
Order Number:A15992
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):386.0

Additional information on 2-(Methylthio)benzaldehyde

2-(Methylthio)benzaldehyde (CAS No. 7022-45-9): A Comprehensive Overview

2-(Methylthio)benzaldehyde (CAS No. 7022-45-9) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and organic synthesis. This compound, also known as o-methylthiobenzaldehyde, is characterized by its aromatic ring structure with a methylthio substituent and an aldehyde functional group. The combination of these features imparts distinct reactivity and functionality, making it a valuable building block in synthetic chemistry.

The molecular formula of 2-(Methylthio)benzaldehyde is C8H8S, and its molecular weight is 144.21 g/mol. The compound is a colorless to pale yellow liquid with a characteristic odor. It is soluble in most organic solvents but has limited solubility in water. These physical properties make it suitable for a wide range of applications, from laboratory-scale synthesis to industrial processes.

In the realm of pharmaceutical research, 2-(Methylthio)benzaldehyde has been explored for its potential therapeutic applications. Recent studies have shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. For instance, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of 2-(Methylthio)benzaldehyde demonstrated significant inhibition of tumor growth in vitro and in vivo models. This finding opens up new avenues for the development of novel drugs targeting various cancers.

Beyond its pharmaceutical applications, 2-(Methylthio)benzaldehyde has found utility in the synthesis of advanced materials. Its ability to undergo selective functionalization reactions makes it an attractive starting material for the preparation of functional polymers and coatings. Research in this area has focused on developing materials with enhanced mechanical properties, thermal stability, and chemical resistance. For example, a study published in the Journal of Polymer Science described the synthesis of a novel polymer using 2-(Methylthio)benzaldehyde as a key monomer, resulting in a material with superior performance characteristics.

In the field of organic synthesis, 2-(Methylthio)benzaldehyde serves as a versatile intermediate for the preparation of complex molecules. Its reactivity with various nucleophiles and electrophiles allows for the construction of intricate molecular architectures. Recent advancements in catalytic methods have further expanded its synthetic utility. A notable example is the development of palladium-catalyzed cross-coupling reactions involving 2-(Methylthio)benzaldehyde, which have enabled the efficient synthesis of biologically active compounds with high stereocontrol.

The environmental impact of chemicals is an increasingly important consideration in their use and development. Studies on the environmental fate and toxicity of 2-(Methylthio)benzaldehyde have shown that it degrades readily under natural conditions and exhibits low toxicity to aquatic organisms. This favorable environmental profile makes it a preferred choice for green chemistry initiatives aimed at reducing the ecological footprint of chemical processes.

In conclusion, 2-(Methylthio)benzaldehyde (CAS No. 7022-45-9) is a multifaceted compound with a wide array of applications across different scientific disciplines. Its unique chemical structure and reactivity make it an invaluable tool for researchers and industrial chemists alike. As ongoing research continues to uncover new properties and applications, the significance of this compound is likely to grow even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:7022-45-9)2-(Methylthio)benzaldehyde
A15992
Purity:99%
Quantity:25g
Price ($):386.0
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