Cas no 61735-43-1 (Thiocyanic acid, 1-methylbutyl ester)
Thiocyanic acid, 1-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, 1-methylbutyl ester
- pentan-2-yl thiocyanate
- 2-Pentyl thiocyanate
- AC1MC4UJ
- AG-A-45196
- CTK2D3527
- MolPort-000-160-055
- OR1087
- pentan-2-ylsulfanylcarbonitrile
- AKOS006343084
- DTXSID00375740
- 61735-43-1
- 2-Thiocyanatopentane
- MFCD06797744
-
- MDL: MFCD06797744
- Inchi: 1S/C6H11NS/c1-3-4-6(2)8-5-7/h6H,3-4H2,1-2H3
- InChI Key: GVXHMJVSAWJUMW-UHFFFAOYSA-N
- SMILES: S(C#N)C(C)CCC
Computed Properties
- Exact Mass: 129.06133
- Monoisotopic Mass: 129.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 91.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 23.79
Thiocyanic acid, 1-methylbutyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 024162-1g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 1g |
£85.00 | 2022-02-28 | |
| Fluorochem | 024162-5g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 5g |
£254.00 | 2022-02-28 | |
| eNovation Chemicals LLC | Y1254661-1g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 1g |
$315 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1254661-5g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 5g |
$595 | 2024-06-05 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661425-1g |
2-Thiocyanatopentane |
61735-43-1 | 98% | 1g |
¥1041.00 | 2024-05-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661425-5g |
2-Thiocyanatopentane |
61735-43-1 | 98% | 5g |
¥3108.00 | 2024-05-06 | |
| A2B Chem LLC | AX74926-1g |
2-Thiocyanatopentane |
61735-43-1 | 99% | 1g |
$213.00 | 2024-04-19 | |
| A2B Chem LLC | AX74926-5g |
2-Thiocyanatopentane |
61735-43-1 | 99% | 5g |
$438.00 | 2024-04-19 | |
| eNovation Chemicals LLC | Y1254661-5g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 5g |
$620 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1254661-1g |
2-Pentyl thiocyanate |
61735-43-1 | 99% | 1g |
$325 | 2025-02-19 |
Thiocyanic acid, 1-methylbutyl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
Additional information on Thiocyanic acid, 1-methylbutyl ester
Comprehensive Overview of Thiocyanic acid, 1-methylbutyl ester (CAS No. 61735-43-1)
Thiocyanic acid, 1-methylbutyl ester (CAS No. 61735-43-1) is an organic compound belonging to the class of thiocyanate esters. This chemical is characterized by its unique molecular structure, which includes a thiocyanate group (-SCN) attached to a 1-methylbutyl moiety. The compound has garnered attention in various industrial and research applications due to its versatile chemical properties. In recent years, the demand for specialized esters like Thiocyanic acid, 1-methylbutyl ester has increased, particularly in the fields of agrochemicals, pharmaceuticals, and material science.
The nomenclature of this compound often leads to queries such as "What is Thiocyanic acid, 1-methylbutyl ester used for?" or "Is Thiocyanic acid, 1-methylbutyl ester safe?". These questions reflect the growing interest in understanding its applications and safety profile. The compound's CAS No. 61735-43-1 serves as a unique identifier, ensuring accurate referencing in scientific literature and regulatory documents. Researchers frequently search for "synthesis of Thiocyanic acid, 1-methylbutyl ester" or "physical properties of CAS 61735-43-1," highlighting the need for detailed technical data.
From a chemical perspective, Thiocyanic acid, 1-methylbutyl ester exhibits notable reactivity, making it useful in synthetic chemistry. Its thiocyanate group can participate in nucleophilic substitution reactions, enabling the formation of more complex molecules. This property is particularly valuable in the development of novel agrochemicals, where thiocyanate derivatives are explored for their potential as plant growth regulators or pest control agents. The compound's 1-methylbutyl chain also contributes to its lipophilicity, influencing its solubility and interaction with biological systems.
In the pharmaceutical industry, derivatives of Thiocyanic acid are investigated for their bioactive properties. While Thiocyanic acid, 1-methylbutyl ester itself may not be a direct drug candidate, its structural features inspire the design of new therapeutic agents. Searches like "Thiocyanic acid derivatives in medicine" or "biological activity of CAS 61735-43-1" indicate a strong interest in its potential health-related applications. However, rigorous testing and regulatory approvals are essential before any such uses can be realized.
Environmental and safety considerations are another hot topic surrounding Thiocyanic acid, 1-methylbutyl ester. Users often inquire about "environmental impact of Thiocyanic acid esters" or "handling precautions for CAS 61735-43-1." Proper storage, handling, and disposal protocols are critical to minimize risks associated with this compound. Material Safety Data Sheets (MSDS) provide comprehensive guidelines, emphasizing the importance of workplace safety and environmental protection.
The analytical characterization of Thiocyanic acid, 1-methylbutyl ester involves techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy. These methods help confirm its purity and structural integrity, addressing common queries like "how to analyze Thiocyanic acid, 1-methylbutyl ester." Researchers also explore its stability under various conditions, which is vital for ensuring consistent performance in end-use applications.
In conclusion, Thiocyanic acid, 1-methylbutyl ester (CAS No. 61735-43-1) is a compound of significant interest across multiple industries. Its unique chemical properties, coupled with its potential applications, make it a subject of ongoing research and development. By addressing frequently asked questions and highlighting its relevance to current trends, this overview aims to provide a balanced and informative perspective on this specialized ester.
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