Ethyl Thiooxamate - ≥95% , CAS No.16982-21-1

CAS: 16982-21-1 Cat. No.: E101723 分子式: C₄H₇NO₂S 分子量: 133.17 Beilstein Registry Number: 2(3)1595 EC番号: 605-564-7

GRADE & PURITY ≥95%

Synonyms

Acetic acid, 2-amino-2-thioxo-, ethyl ester | ethyl 2-thiooxamate | STL445702 | Ethyl amino(sulfanylidene)acetate | SY004302 | ethyl thioamidooxalate | HY-78216 | ethyl amino(thioxo)acetate | E0735 | ethyl thiocarbamoylformate | Ethyl Thioxamate | AKOS000

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Acetic acid, 2-amino-2-thioxo-, ethyl ester | ethyl 2-thiooxamate | STL445702 | Ethyl amino(sulfanylidene)acetate | SY004302 | ethyl thioamidooxalate | HY-78216 | ethyl amino(thioxo)acetate | E0735 | ethyl thiocarbamoylformate | Ethyl Thioxamate | AKOS000

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 488192394
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192394
• カノニカル・スマイル: CCOC(=O)C(=S)N
• IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate
• InChIKey: YMBMCMOZIGSBOA-UHFFFAOYSA-N
• INCHI: 1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
• 異性体SMILES: CCOC(=O)C(=S)N
• WGKドイツ: 3
• 分子量: 133.17
• Beilstein: 2(3)1595
• Reaxy-Rn: 1748850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thioamides Carboxylic acid esters Thiocarboxylic acid amides Monocarboxylic acids and derivatives Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thioamide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Organic nitrogen compound - Thiocarbonyl group - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: Dichloromethane, Ether, Ethyl Acetate, Methanol
• 感度: Light Sensitive,Air Sensitive,Heat Sensitive
• 融点（°C）: 62-65°C
• 分子量: 133.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 133.02 Da
• Monoisotopic Mass: 133.02 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 113.000
• 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