Hexanenitrile, 6-(methylthio)- , CAS No.72931-29-4

CAS: 72931-29-4 Cat. No.: H987756 Summenformel: C₇H₁₃NS Molekulargewicht: 143.250 EG-Nummer: 840-303-2

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

• Kanonisches Lächeln: CSCCCCCC#N
• IUPAC Name: 6-methylsulfanylhexanenitrile
• InChIKey: ULSCBSNSXYDREI-UHFFFAOYSA-N
• INCHI: 1S/C7H13NS/c1-9-7-5-3-2-4-6-8/h2-5,7H2,1H3
• Molekulargewicht: 143.250

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 143.250 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 143.077 Da
• Monoisotopic Mass: 143.077 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.300
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 72931-29-4, the molecular formula is C7H13NS, and the molecular weight is 143.250 g/mol. InChIKey ULSCBSNSXYDREI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.