2,2-Diethoxyethanethioamide - ≥95% , CAS No.73956-15-7

CAS: 73956-15-7 Cat. No.: D186349 分子式: C₆H₁₃NO₂S 分子量: 163.24 EC番号: 640-888-2

GRADE & PURITY ≥95%

Synonyms

Diethoxythioacetamide | 2,2,-Diethoxyethanethioamide | MQSDGAKLSVITHP-UHFFFAOYSA-N | 2,2-bis(ethyloxy)ethanethioamide | 2,2-Diethoxythioacetamide | D87627 | EN300-66285 | SCHEMBL1431693 | A9513 | AKOS006237671 | DTXSID20383362 | BCP19986 | MFCD06658986 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

Diethoxythioacetamide | 2,2,-Diethoxyethanethioamide | MQSDGAKLSVITHP-UHFFFAOYSA-N | 2,2-bis(ethyloxy)ethanethioamide | 2,2-Diethoxythioacetamide | D87627 | EN300-66285 | SCHEMBL1431693 | A9513 | AKOS006237671 | DTXSID20383362 | BCP19986 | MFCD06658986 |

仕様と純度

≥95%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

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: 528755114
• カノニカル・スマイル: CCOC(C(=S)N)OCC
• IUPAC Name: 2,2-diethoxyethanethioamide
• InChIKey: MQSDGAKLSVITHP-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2S/c1-3-8-6(5(7)10)9-4-2/h6H,3-4H2,1-2H3,(H2,7,10)
• 異性体SMILES: CCOC(C(=S)N)OCC
• 分子量: 163.24
• Reaxy-Rn: 2351820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2351820&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 Acetals Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organooxygen compound - 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

• 分子量: 163.240 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 163.067 Da
• Monoisotopic Mass: 163.067 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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