Cas no 38360-81-5 (3,5-Dimethylthiophenol)

3,5-Dimethylthiophenol (CAS 24964-21-8) is a sulfur-containing aromatic compound characterized by the presence of two methyl groups at the 3 and 5 positions of the thiophenol ring. This structural configuration enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound exhibits moderate reactivity due to the thiol group, enabling selective functionalization under controlled conditions. Its stability and well-defined molecular structure contribute to its utility in cross-coupling reactions and as a ligand precursor. 3,5-Dimethylthiophenol is typically handled under inert conditions to prevent oxidation of the thiol moiety.
3,5-Dimethylthiophenol structure
3,5-Dimethylthiophenol structure
Product Name:3,5-Dimethylthiophenol
CAS No:38360-81-5
MF:C8H10S
MW:138.230000972748
MDL:MFCD00040226
CID:89300
PubChem ID:24874284
Update Time:2025-10-21

3,5-Dimethylthiophenol Chemical and Physical Properties

Names and Identifiers

    • 3,5-dimethylbenzenethiol
    • 3,5-Dimethylthiophenol
    • 3,5-Dimethylthiophenolneat
    • 3,5-DiMethylbenzene-1-thiol
    • 5-Mercapto-m-xylene
    • m-Xylene-5-thiol
    • Benzenethiol, 3,5-dimethyl-
    • 3,5-Dimethyl Thiophenol
    • CESBAYSBPMVAEI-UHFFFAOYSA-N
    • U18S77737Q
    • 3,5-Xylenethiol
    • Xylenethiol, mixed isomers
    • PubChem6885
    • 3,5dimethylthiophenol
    • 3,5-dimethyl-thiophenol
    • 3,5-Dimethylbenzenethiol #
    • 3,5-Di
    • 3,5
    • MFCD00040226
    • EINECS 253-901-8
    • 3,5-Dimethylbenzenethiol, 96%
    • AKOS006222980
    • CS-0153247
    • FT-0614707
    • 25550-52-1
    • PS-3010
    • UNII-U18S77737Q
    • J-511370
    • 3,5-Dimethylbenzenethiol, 90%
    • EN300-673715
    • SCHEMBL1145630
    • Q27290551
    • A824119
    • FF8DL45MWR
    • D4286
    • F20943
    • 3,5-dimethylbenzenethiolate
    • 38360-81-5
    • UNII-FF8DL45MWR
    • EINECS 247-095-7
    • DTXSID3068093
    • NS00030372
    • DB-022106
    • 3,5-Dimethyl thiophenol;3,5-dimethylbenzenethiol
    • MDL: MFCD00040226
    • Inchi: 1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
    • InChI Key: CESBAYSBPMVAEI-UHFFFAOYSA-N
    • SMILES: SC1C=C(C)C=C(C)C=1
    • BRN: 3233085

Computed Properties

  • Exact Mass: 138.05000
  • Monoisotopic Mass: 138.050321
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 80.6
  • 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: 10
  • XLogP3: 2.9
  • Topological Polar Surface Area: 1

Experimental Properties

  • Color/Form: liquid
  • Density: 1.015?g/mL?at 25?°C(lit.)
  • Melting Point: -30°C (estimate)
  • Boiling Point: 127.5?°C/50?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:185°F
    Degrees Celsius:85°C
  • Refractive Index: n20/D 1.568(lit.)
  • PSA: 38.80000
  • LogP: 2.59210
  • Solubility: Insoluble
  • Sensitiveness: Stench

3,5-Dimethylthiophenol Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302,H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:2810
  • WGK Germany:2
  • Hazard Category Code: 22-36/37/38
  • Safety Instruction: S26; S36; S36/37
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Hazard Level:6.1
  • Risk Phrases:R36/37/38
  • Packing Group:III
  • Safety Term:6.1
  • HazardClass:6.1
  • PackingGroup:III
  • TSCA:T

3,5-Dimethylthiophenol 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%

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3,5-Dimethylthiophenol Production Method

3,5-Dimethylthiophenol Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:38360-81-5)3,5-DIMETHYLTHIOPHENOL
Order Number:sfd3560
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:38360-81-5)3,5-二甲基苯硫酚
Order Number:LE1690425
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:33
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:38360-81-5)3,5-Dimethylthiophenol
Order Number:A824119
Stock Status:in Stock
Quantity:25g/100g/25ml
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):436.0/974.0/358.0

3,5-Dimethylthiophenol Related Literature

Additional information on 3,5-Dimethylthiophenol

Introduction to 3,5-Dimethylthiophenol (CAS No. 38360-81-5)

3,5-Dimethylthiophenol, identified by the Chemical Abstracts Service Number (CAS No.) 38360-81-5, is a significant organic compound that has garnered attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its thiophene core substituted with two methyl groups at the 3rd and 5th positions, exhibits unique chemical properties that make it a valuable intermediate in synthetic chemistry. The structural motif of thiophene, coupled with the electron-donating effect of the methyl groups, imparts distinct reactivity patterns that are exploited in various synthetic pathways.

The structure of 3,5-Dimethylthiophenol features a six-membered aromatic ring containing sulfur, with two methyl groups attached at the 3rd and 5th carbon atoms. This arrangement enhances the compound's stability while maintaining its ability to participate in various organic reactions. The presence of the sulfur atom introduces a polar region into the molecule, which can influence its interactions with other biomolecules and surfaces. Such characteristics make it a promising candidate for applications in drug development and material science.

In recent years, 3,5-Dimethylthiophenol has been extensively studied for its potential applications in pharmaceuticals. Its derivatives have been explored as intermediates in the synthesis of bioactive molecules, including those with antimicrobial and anti-inflammatory properties. The thiophene scaffold is a common structural motif in many pharmacologically active compounds, and modifications at the 3rd and 5th positions can significantly alter the biological activity of the molecule. This flexibility allows chemists to fine-tune the properties of 3,5-Dimethylthiophenol derivatives to target specific therapeutic pathways.

One of the most compelling aspects of 3,5-Dimethylthiophenol is its role in the development of novel materials. The compound's ability to form stable complexes with metals and other organic molecules makes it useful in catalysis and as a ligand in coordination chemistry. Researchers have leveraged these properties to design new catalysts for organic transformations and to develop advanced materials with tailored electronic and optical properties. For instance, thiophene-based polymers are being investigated for their potential use in organic electronics due to their excellent charge transport capabilities.

Recent advancements in computational chemistry have further highlighted the significance of 3,5-Dimethylthiophenol. High-throughput virtual screening methods have been employed to identify new derivatives with enhanced biological activity. These computational approaches allow researchers to predict the binding affinity of 3,5-Dimethylthiophenol derivatives to target proteins with high accuracy, thereby accelerating the drug discovery process. Additionally, machine learning models have been developed to predict the metabolic stability and pharmacokinetic properties of these compounds, providing valuable insights into their potential as drug candidates.

The synthesis of 3,5-Dimethylthiophenol itself is an area of active research. Traditional methods involve Friedel-Crafts alkylation or cross-coupling reactions starting from thiophene precursors. However, recent studies have explored more sustainable synthetic routes, such as biocatalytic methods using engineered enzymes. These green chemistry approaches not only improve yield but also reduce waste generation, aligning with global efforts to promote environmentally friendly chemical synthesis.

In conclusion,3,5-Dimethylthiophenol (CAS No. 38360-81-5) is a versatile compound with broad applications in pharmaceuticals and materials science. Its unique structural features enable it to participate in diverse chemical reactions and interactions, making it a valuable building block for synthetic chemists. As research continues to uncover new applications for this compound,3,5-Dimethylthiophenol is poised to play an increasingly important role in developing next-generation therapeutics and advanced materials.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:38360-81-5)3,5-DIMETHYLTHIOPHENOL
sfd3560
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:38360-81-5)3,5-二甲基苯硫酚
LE1690425
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email