Diheptyl Disulfide , CAS No.10496-16-9

CAS: 10496-16-9 Cat. No.: D351111 Formule: C₁₄H₃₀S₂ Poids moléculaire: 262.51

Synonyms

NSC 97275 | UNII-V2ULM5QWG5 | Diheptyl disulfide | DTXSID20146873 | Disulphide, diheptyl | NSC97275 | NSC-97275 | AKOS024390942 | Diheptyl disulphide | 8,9-Dithiahexadecane | n-Heptyl disulfide | EINECS 234-023-4 | Heptyl disulfide | V2ULM5QWG5 | 4,4'-(Pr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC 97275 | UNII-V2ULM5QWG5 | Diheptyl disulfide | DTXSID20146873 | Disulphide, diheptyl | NSC97275 | NSC-97275 | AKOS024390942 | Diheptyl disulphide | 8,9-Dithiahexadecane | n-Heptyl disulfide | EINECS 234-023-4 | Heptyl disulfide | V2ULM5QWG5 | 4,4'-(Pr

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

CCCCCCCSSCCCCCCC

IUPAC Name

1-(heptyldisulfanyl)heptane

InChIKey

IFGAFLQUAVLERP-UHFFFAOYSA-N

INCHI

1S/C14H30S2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3

Isomères SMILES

CCCCCCCSSCCCCCCC

Poids moléculaire

262.51

Reaxy-Rn

1748328

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748328&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

• Poids moléculaire: 262.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 262.179 Da
• Monoisotopic Mass: 262.179 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 101.000
• 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