Amyl Sulfide - ≥97%(GC) , CAS No.872-10-6

CAS: 872-10-6 Cat. No.: A151356 Fórmula: C₁₀H₂₂S Peso molecular: 174.35 Beilstein Registry Number: 1(4)1654 Número CE: 212-820-8

GRADE & PURITY ≥97%(GC)

Synonyms

Pentyl sulfide | AI3-01368 | D88303 | EINECS 212-820-8 | Tox21_301954 | FT-0625196 | JOZDADPMWLVEJK-UHFFFAOYSA- | Diamyl sulphide | Diamylsulfid | di-n-Amyl sulfide | DTXCID6022266 | MFCD00027275 | di(1-pentyl) sulfide | Pentane, 1,1'-thiobis- | Diamyl su

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Pentyl sulfide | AI3-01368 | D88303 | EINECS 212-820-8 | Tox21_301954 | FT-0625196 | JOZDADPMWLVEJK-UHFFFAOYSA- | Diamyl sulphide | Diamylsulfid | di-n-Amyl sulfide | DTXCID6022266 | MFCD00027275 | di(1-pentyl) sulfide | Pentane, 1,1'-thiobis- | Diamyl su

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

528771879

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771879

Sorrisos canónicos

CCCCCSCCCCC

IUPAC Name

1-pentylsulfanylpentane

InChIKey

JOZDADPMWLVEJK-UHFFFAOYSA-N

INCHI

1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

SMILES isoméricas

CCCCCSCCCCC

Número UN

1993

Grupo de embalagem

I

Peso molecular

174.35

Beilstein

1(4)1654

Reaxy-Rn

1698031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698031&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

• Índice de refração: 1.46
• Ponto de inflamação (°F): 85°C(lit.)
• Ponto de inflamação (°C): 85°C
• Ponto de ebulição (°C): 175°C
• Ponto de fusão (°C): -51°C
• Peso molecular: 174.350 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 174.144 Da
• Monoisotopic Mass: 174.144 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 53.900
• 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