3,3-dimethoxythietane - ≥97% , CAS No.89280-54-6

CAS: 89280-54-6 Cat. No.: D638433 Fórmula: C₅H₁₀O₂S Peso molecular: 134.2 PubChem CID: 67273375

GRAU & PUREZA ≥97%

Synonyms

3,3-dimethoxythietane | 89280-54-6 | SCHEMBL2086542 | AMY32096 | PB48875 | E88257 | EN300-190788

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

3,3-dimethoxythietane | 89280-54-6 | SCHEMBL2086542 | AMY32096 | PB48875 | E88257 | EN300-190788

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC1(CSC1)OC

IUPAC Name

3,3-dimethoxythietane

InChIKey

ZTGMGBUAOPXGMO-UHFFFAOYSA-N

INCHI

1S/C5H10O2S/c1-6-5(7-2)3-8-4-5/h3-4H2,1-2H3

SMILES isoméricas

COC1(CSC1)OC

PubChem CID

67273375

Peso molecular

134.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Thietanes Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Thietane - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriedades químicas e físicas

• Peso molecular: 134.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 134.04 Da
• Monoisotopic Mass: 134.04 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.500
• 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