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

CAS: 89280-54-6 Cat. No.: D638433 Summenformel: C₅H₁₀O₂S Molekulargewicht: 134.2 PubChem CID: 67273375

GRADE & PURITY ≥97%

Synonyms

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

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: COC1(CSC1)OC
• PubChem CID: 67273375
• Molekulargewicht: 134.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Acetals
          • Ebene6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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