Octadecyl Sulfide - ≥96%(GC) , CAS No.1844-09-3

CAS: 1844-09-3 Cat. No.: O159990 Peso molecular: 539.05

GRADE & PURITY ≥96%(GC)

Synonyms

n-octadecyl sulfide | Dioctadecyl sulfide | S-Ethyl N,N-diethylthiocarbamate | Stearyl Sulfide | methyl-3-mercaptopropionate | FT-0625204 | Octadecyl sulfide | Q27253739 | BAA84409 | NSC 71652 | Octadecane, 1,1'-thiobis- | 1-octadecylsulfanyloctadecane |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

n-octadecyl sulfide | Dioctadecyl sulfide | S-Ethyl N, N-diethylthiocarbamate | Stearyl Sulfide | methyl-3-mercaptopropionate | FT-0625204 | Octadecyl sulfide | Q27253739 | BAA84409 | NSC 71652 | Octadecane, 1, 1'-thiobis- | 1-octadecylsulfanyloctadecane |

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCC
• IUPAC Name: 1-octadecylsulfanyloctadecane
• InChIKey: IHWDIGHWDQPQMQ-UHFFFAOYSA-N
• INCHI: 1S/C36H74S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCC
• Peso molecular: 539.05
• Reaxy-Rn: 1801684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1801684&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 70 °C
• Peso molecular: 539.000 g/mol
• XLogP3: 18.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 538.551 Da
• Monoisotopic Mass: 538.551 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 332.000
• 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