Dodecyl Methyl Sulfide - ≥98% , CAS No.3698-89-3

CAS: 3698-89-3 Cat. No.: D103106 分子式: C₁₃H₂₈S 分子量: 216.43 Beilstein Registry Number: 1(4)1851 EC番号: 223-028-7

グレード＆純度 ≥98%

Synonyms

9-Oxo-2-fluorenecarboxylic acid | D3767 | NSC 87889 | AKOS015852585 | MFCD00015073 | DTXSID5057832 | Methyl n-dodecyl sulfide | UNII-77BO1DV08U | NCGC00256235-01 | SCHEMBL199243 | Dodecyl methyl sulfide | 2-Thiatetradecane | FT-0605838 | 77BO1DV08U | SCHE

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

9-Oxo-2-fluorenecarboxylic acid | D3767 | NSC 87889 | AKOS015852585 | MFCD00015073 | DTXSID5057832 | Methyl n-dodecyl sulfide | UNII-77BO1DV08U | NCGC00256235-01 | SCHEMBL199243 | Dodecyl methyl sulfide | 2-Thiatetradecane | FT-0605838 | 77BO1DV08U | SCHE

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

508812547

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508812547

カノニカル・スマイル

CCCCCCCCCCCCSC

IUPAC Name

1-methylsulfanyldodecane

InChIKey

KJWHJDGMOQJLGF-UHFFFAOYSA-N

INCHI

1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3

異性体SMILES

CCCCCCCCCCCCSC

WGKドイツ

3

分子量

216.43

Beilstein

1(4)1851

Reaxy-Rn

1739960

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739960&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.461
• 引火点（°F）: >230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 110°C
• 融点（°C）: -2°C
• 分子量: 216.430 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 216.191 Da
• Monoisotopic Mass: 216.191 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 91.200
• 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