2-(tert-Butyldimethylsilyl)-1,3-dithiane - ≥97% , CAS No.95452-06-5

CAS: 95452-06-5 Cat. No.: T469901 Peso molecular: 234.5 PubChem CID: 552599

GRADE & PURITY ≥97%

Synonyms

tert-butyl-(1,3-dithian-2-yl)-dimethylsilane | tert-Butyl(1,3-dithian-2-yl)dimethylsilane | JISLIURJHXAPTN-UHFFFAOYSA-N | 2-(tert-Butyldimethylsilyl)-1,3-dithiane, 97% | tert-Butyl(1,3-dithian-2-yl)dimethylsilane # | 2-(tert-Butyldimethylsilyl)-1,3-dithia

Storage

Room temperature

Specifications

Sinónimos

tert-butyl-(1, 3-dithian-2-yl)-dimethylsilane | tert-Butyl(1, 3-dithian-2-yl)dimethylsilane | JISLIURJHXAPTN-UHFFFAOYSA-N | 2-(tert-Butyldimethylsilyl)-1, 3-dithiane, 97% | tert-Butyl(1, 3-dithian-2-yl)dimethylsilane # | 2-(tert-Butyldimethylsilyl)-1, 3-dithia

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[Si](C)(C)C1SCCCS1
• IUPAC Name: tert-butyl-(1,3-dithian-2-yl)-dimethylsilane
• InChIKey: JISLIURJHXAPTN-UHFFFAOYSA-N
• INCHI: 1S/C10H22S2Si/c1-10(2,3)13(4,5)9-11-7-6-8-12-9/h9H,6-8H2,1-5H3
• Isómeros SMILES: CC(C)(C)[Si](C)(C)C1SCCCS1
• WGK Alemania: 3
• PubChem CID: 552599
• Peso molecular: 234.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dithianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dithianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithianes
• Alternative Parents: Trialkylsilanes Organic metalloid salts Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-dithiane - Trialkylsilane - Organic metalloid salt - Dialkylthioether - Thioether - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 221 °F
• Punto de inflamación (°C): 105 °C
• Peso molecular: 234.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.093 Da
• Monoisotopic Mass: 234.093 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 166.000
• 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

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