Dibutyl Disulfide - ≥95%(GC) , CAS No.629-45-8

CAS: 629-45-8 Cat. No.: D154922 Formule: C₈H₁₈S₂ Poids moléculaire: 178.35 Beilstein Registry Number: 1735180 Numéro CE: 211-091-3

GRADE & PURITY ≥95%(GC)

Synonyms

D1395 | NSC 36626 | 1-(Butyldisulfanyl)butane # | D0224 | Dibutyldisulfide | BCP11264 | AI3-32578 | Q26840789 | DTXSID8060874 | 1-(Butyldisulfanyl)butane | Dibutyl disulphide | DIBUTYL DISULFIDE | AS-56697 | Butyl disulfide | DI-N-DIBUTYL DISULFIDE | UNII

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

D1395 | NSC 36626 | 1-(Butyldisulfanyl)butane # | D0224 | Dibutyldisulfide | BCP11264 | AI3-32578 | Q26840789 | DTXSID8060874 | 1-(Butyldisulfanyl)butane | Dibutyl disulphide | DIBUTYL DISULFIDE | AS-56697 | Butyl disulfide | DI-N-DIBUTYL DISULFIDE | UNII

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

528769555

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769555

Sourires canoniques

CCCCSSCCCC

IUPAC Name

1-(butyldisulfanyl)butane

InChIKey

CUDSBWGCGSUXDB-UHFFFAOYSA-N

INCHI

1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3

Isomères SMILES

CCCCSSCCCC

WGK Allemagne

3

Poids moléculaire

178.35

Beilstein

1735180

Reaxy-Rn

1735184

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735184&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Organic disulfides
• Subclass: Dialkyldisulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyldisulfides
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyldisulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.49
• Point d'éclair (°F): 199.4 °F
• Point d'éclair (°C): 93 °C
• Point d'ébullition (°C): 226°C
• Poids moléculaire: 178.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 178.085 Da
• Monoisotopic Mass: 178.085 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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