Cyclohexanethione - ≥95% , CAS No.2720-41-4

CAS: 2720-41-4 Cat. No.: C997320 分子式: C₆H₁₀S 分子量: 114.21 PubChem CID: 9812771

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CCC(=S)CC1
• IUPAC Name: cyclohexanethione
• InChIKey: KEMACKQQVVYFDT-UHFFFAOYSA-N
• INCHI: 1S/C6H10S/c7-6-4-2-1-3-5-6/h1-5H2
• 異性体SMILES: C1CCC(=S)CC1
• PubChem CID: 9812771
• 分子量: 114.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Thiocarbonyl compounds
      • Subclass Thioketones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: Thiocarbonyl compounds
• Subclass: Thioketones
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioketones
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Thioketone - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as thioketones. These are compounds in which the oxygen of a ketone has been replaced by divalent sulfur R2C=S ( R not H ). Thioketones that have an alpha-hydrogen interconvert with Thioenols. Moreover, they interconvert with thioaldehydes.
• 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

化学的性質と物理的性質

• 分子量: 114.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.05 Da
• Monoisotopic Mass: 114.05 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.200
• 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

よくある質問

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

The CAS Number is 2720-41-4, the molecular formula is C6H10S, and the molecular weight is 114.21 g/mol. InChIKey KEMACKQQVVYFDT-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.