Cas no 38360-81-5 (3,5-Dimethylthiophenol)
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:
- 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:
- 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:
2930909090Overview:
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%
3,5-Dimethylthiophenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 001348-5g |
3,5-Dimethylthiophenol |
38360-81-5 | 95% | 5g |
£20.00 | 2022-03-29 | |
| Fluorochem | 001348-25g |
3,5-Dimethylthiophenol |
38360-81-5 | 95% | 25g |
£60.00 | 2022-03-29 | |
| Fluorochem | 001348-100g |
3,5-Dimethylthiophenol |
38360-81-5 | 95% | 100g |
£210.00 | 2022-03-29 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D101802-5g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 5g |
¥386.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D101802-25g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 25g |
¥1547.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D101802-1g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 1g |
¥107.90 | 2023-09-03 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027374-1g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 1g |
¥102 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027374-25g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 25g |
¥1803 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027374-5g |
3,5-Dimethylthiophenol |
38360-81-5 | 97% | 5g |
¥365 | 2024-05-23 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 522929-5G |
3,5-Dimethylthiophenol |
38360-81-5 | 5g |
¥2617.81 | 2023-12-05 |
3,5-Dimethylthiophenol Suppliers
3,5-Dimethylthiophenol Related Literature
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Marjan Jereb,Darko Dolenc RSC Adv. 2015 5 58292
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Xu Liu,Guo Yao,Xinglian Cheng,Jiayu Xu,Xiao Cai,Weigang Hu,Wen Wu Xu,Chunfeng Zhang,Yan Zhu Chem. Sci. 2021 12 3290
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Yingwei Li,Rosalba Juarez-Mosqueda,Yongbo Song,Yuzhuo Zhang,Jinsong Chai,Giannis Mpourmpakis,Rongchao Jin Nanoscale 2020 12 9423
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Yuying Zhang,Ancheng Tang,Xiao Cai,Jiayu Xu,Xu Liu,Yan Zhu Chem. Commun. 2022 58 3003
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Jingxin Tian,Shanshan Yuan,Fuhong Xiao,Huawen Huang,Guo-Jun Deng RSC Adv. 2019 9 30570
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.
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