Di-tert-butyl Disulfide - ≥97%(GC) , CAS No.110-06-5

CAS: 110-06-5 Cat. No.: D154920 Molecular Weight: 178.35 EC Number: 203-734-1

GRADE & PURITY ≥97%(GC)

Synonyms

di-t-butyl disulfide | EINECS 203-734-1 | DI-TERT-BUTYLDISULFIDE | RTY9CM6498 | D0225 | Tert-butyl disulfide | NSC-677434 | t-Butyldisulfide | Di-tert-butyl disulfide | Di-tert-butyl disulphide | 2,2,5,5-Tetramethyl-3,4-dithiahexane | BIS(TERT-BUTYL)DISUL

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Mechanism of the oxidation of di-tert-butyl disulfide in the presence of H2O2 catalyzed by bis(acetylacetonato)oxovanadium and a chiral Schiff-base ligand has been investigated.
Di-tert-butyl disulfide has been used in the preparation of gold-supported thin film from symmetrical and mixed disulphide adsorbates

Specifications

Synonyms

di-t-butyl disulfide | EINECS 203-734-1 | DI-TERT-BUTYLDISULFIDE | RTY9CM6498 | D0225 | Tert-butyl disulfide | NSC-677434 | t-Butyldisulfide | Di-tert-butyl disulfide | Di-tert-butyl disulphide | 2, 2, 5, 5-Tetramethyl-3, 4-dithiahexane | BIS(TERT-BUTYL)DISUL

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488183716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183716
• Canonical Smiles: CC(C)(C)SSC(C)(C)C
• IUPAC Name: 2-(tert-butyldisulfanyl)-2-methylpropane
• InChIKey: BKCNDTDWDGQHSD-UHFFFAOYSA-N
• INCHI: 1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
• Isomeric SMILES: CC(C)(C)SSC(C)(C)C
• WGK Germany: 3
• Molecular Weight: 178.35
• Reaxy-Rn: 1698170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698170&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: n20/D 1.490(lit.)
• Flash Point(°F): 67°C
• Flash Point(°C): 67°C
• Boil Point(°C): 200-201 °C
• Molecular Weight: 178.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 80.800
• 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

References

1. Jia-Hui Chen, Jia-Hui Lu, Xiao-Lu Pu, Li Chen, Yu-Zhong Wang.  (2022)  Recyclable, malleable and intrinsically flame-retardant epoxy resin with catalytic transesterification.  CHEMOSPHERE,      [PMID:35093421] [10.1016/j.chemosphere.2022.133778]