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

CAS: 3698-89-3 Cat. No.: D103106 Summenformel: C₁₃H₂₈S Molekulargewicht: 216.43 Beilstein Registry Number: 1(4)1851 EG-Nummer: 223-028-7

GRADE & PURITY ≥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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508812547

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCSC

WGK Deutschland

3

Molekulargewicht

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
    • 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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - 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

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.461
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): 110 °C
• Siedepunkt (°C): 110°C
• Schmelzpunkt (°C): -2°C
• Molekulargewicht: 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