Hexadecyl Sulfide - ≥97% , CAS No.3312-77-4

CAS: 3312-77-4 Cat. No.: H157105 Summenformel: C₃₂H₆₆S Molekulargewicht: 482.94

GRADE & PURITY ≥97%

Synonyms

dicetyl sulfide | NSC12044 | NSC-12044 | AI3-12175 | FAU6FS678H | A20006 | AKOS024399276 | EINECS 222-002-2 | HEXADECANE, 1-(HEXADECYLTHIO)- | NSC 12044 | DTXSID10186783 | SCHEMBL968370 | N-Hexadecyl Sulfide | Dihexadecyl sulphide | FT-0742522 | Hexadecan

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

dicetyl sulfide | NSC12044 | NSC-12044 | AI3-12175 | FAU6FS678H | A20006 | AKOS024399276 | EINECS 222-002-2 | HEXADECANE, 1-(HEXADECYLTHIO)- | NSC 12044 | DTXSID10186783 | SCHEMBL968370 | N-Hexadecyl Sulfide | Dihexadecyl sulphide | FT-0742522 | Hexadecan

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528770266

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC

Molekulargewicht

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
    • 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

• Schmelzpunkt (°C): 62 °C
• Molekulargewicht: 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