Dipropyl trisulfide - ≥98% , CAS No.6028-61-1

CAS: 6028-61-1 Cat. No.: D770120 Molecular Weight: 182.37 Beilstein Registry Number: 1736290 EC Number: 227-903-4

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCSSSCCC
• IUPAC Name: 1-(propyltrisulfanyl)propane
• InChIKey: GAZXPZNJTZIGBO-UHFFFAOYSA-N
• INCHI: 1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
• Isomeric SMILES: CCCSSSCCC
• WGK Germany: 3
• RTECS: UK3870000
• Molecular Weight: 182.37
• Beilstein: 1736290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Organic trisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Organic trisulfides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic trisulfides
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic trisulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.54
• Flash Point(°C): 106 °C
• Boil Point(°C): 72 °C/1.6 mmHg
• Molecular Weight: 182.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 182.026 Da
• Monoisotopic Mass: 182.026 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 41.600
• 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