1-bromo-2-(ethylsulfanyl)ethane - AR , CAS No.35420-95-2

CAS: 35420-95-2 Cat. No.: B696765 Summenformel: C₄H₉BrS Molekulargewicht: 169.08 EG-Nummer: 836-655-1 PubChem CID: 245296

GRADE & PURITY AR

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

AR

Storage

Room temperature

Note

AR

Namen und Kennungen

Kanonisches Lächeln

CCSCCBr

IUPAC Name

1-bromo-2-ethylsulfanylethane

InChIKey

WNKBNVXUYLXITH-UHFFFAOYSA-N

INCHI

1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3

Isomere SMILES

CCSCCBr

PubChem CID

245296

Molekulargewicht

169.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 57-58°/6mm
• Molekulargewicht: 169.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 167.961 Da
• Monoisotopic Mass: 167.961 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 23.500
• 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