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

CAS: 629-45-8 Cat. No.: D154922 분자식: C₈H₁₈S₂ 분자량: 178.35 Beilstein Registry Number: 1735180 EC 번호: 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

동의어

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

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 528769555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528769555
• 정식 스마일: 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
• 이성체 SMILES: CCCCSSCCCC
• WGK 독일: 3
• 분자량: 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
    • 분류 Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.49
• 발화점(°F): 199.4 °F
• 발화점(°C): 93 °C
• 끓는점(°C): 226°C
• 분자량: 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