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

CAS: 629-45-8 Cat. No.: D154922 分子式: C₈H₁₈S₂ 分子量: 178.35 Beilstein Registry Number: 1735180 EC番号: 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

同義語

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

仕様と純度

≥95%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(GC)

名前と識別子

パブケム・シド

528769555

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCSSCCCC

WGKドイツ

3

分子量

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
    • 分類 Organic disulfides
      • Subclass Dialkyldisulfides

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

化学的性質と物理的性質

• 屈折率: 1.49
• 引火点（°F）: 199.4 °F
• 引火点（°C）: 93 °C
• 沸点（°C）: 226°C
• 分子量: 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