2-シアノチオアセトアミド - ≥98% , CAS No.7357-70-2

CAS: 7357-70-2 Cat. No.: C186324 分子式: C₃H₄N₂S 分子量: 100.1 EC番号: 615-994-7

GRADE & PURITY ≥98%

Synonyms

cyanoacetothioamide | 2-Cyanothioactamide | Cyanothioacetamide | F3308-0295 | MFCD00010025 | Cyanothioacetamide;Ethanethioamide, 2-cyano- | BB 0262965 | 2-Cyanoethanethioamide | 2-cyano-ethanethioamide | BCP32414 | STR02955 | NSC53405 | NSC-53405 | 2-Cyan

Storage

遮光、常温、アルゴン充填

Shipped In

ノーマル

概要

製品の用途

2-シアノチオアセトアミドは、3,4-トランス-4-アリール-3-(1-ピリジニオ)-1,2,3,4-テトラヒドロピリジン-6-チオレートおよびビス[6-(2-アリール)-2-チオキソ-1,2-ジヒドロピリジン-3-カルボニトリル]の合成に使用された。また、2-ピリドチオンの構成単位としても使用された。

Specifications

同義語

cyanoacetothioamide | 2-Cyanothioactamide | Cyanothioacetamide | F3308-0295 | MFCD00010025 | Cyanothioacetamide;Ethanethioamide, 2-cyano- | BB 0262965 | 2-Cyanoethanethioamide | 2-cyano-ethanethioamide | BCP32414 | STR02955 | NSC53405 | NSC-53405 | 2-Cyan

仕様と純度

≥98%

保管条件

遮光、常温、アルゴン充填

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 488191825
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488191825
• カノニカル・スマイル: C(C#N)C(=S)N
• IUPAC Name: 2-cyanoethanethioamide
• InChIKey: BHPYMZQTCPRLNR-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
• 異性体SMILES: C(C#N)C(=S)N
• WGKドイツ: 3
• 分子量: 100.1
• Reaxy-Rn: 1699934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Nitriles Thiocarbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Does not mix well with water.
• 感度: light sensitive
• 融点（°C）: 118-120 °C (lit.)
• 分子量: 100.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.01 Da
• Monoisotopic Mass: 100.01 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 98.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7357-70-2, the molecular formula is C3H4N2S, and the molecular weight is 100.1 g/mol. InChIKey BHPYMZQTCPRLNR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.