Sulfuretos de hexadecilo - ≥97% , CAS No.3312-77-4

CAS: 3312-77-4 Cat. No.: H157105 Fórmula: C₃₂H₆₆S Peso molecular: 482.94

GRAU & PUREZA ≥97%

Synonyms

sulfureto de dicetilo | NSC12044 | NSC-12044 | AI3-12175 | FAU6FS678H | A20006 | AKOS024399276 | EINECS 222-002-2 | HEXADECANO, 1-(HEXADECILTHIO)- | NSC 12044 | DTXSID10186783 | SCHEMBL968370 | Sulfureto de N-Hexadecilo | Sulfureto de Dihexadecilo | FT-07

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

sulfureto de dicetilo | NSC12044 | NSC-12044 | AI3-12175 | FAU6FS678H | A20006 | AKOS024399276 | EINECS 222-002-2 | HEXADECANO, 1-(HEXADECILTHIO)- | NSC 12044 | DTXSID10186783 | SCHEMBL968370 | Sulfureto de N-Hexadecilo | Sulfureto de Dihexadecilo | FT-07

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528770266

Sorrisos canónicos

CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC

IUPAC Name

1-hexadecylsulfanylhexadecane

InChIKey

OILQNNHOQFRDJH-UHFFFAOYSA-N

INCHI

1S/C32H66S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC

Peso molecular

482.94

Reaxy-Rn

1713085

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1713085&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 62 °C
• Peso molecular: 482.900 g/mol
• XLogP3: 16.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 30
• Exact Mass: 482.489 Da
• Monoisotopic Mass: 482.489 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 284.000
• 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