1-Tetradecanethiol - ≥95% , CAS No.2079-95-0

CAS: 2079-95-0 Cat. No.: T670309 分子式: C₁₄H₃₀S 分子量: 230.45 Beilstein Registry Number: 1(4)1867 EC番号: 218-209-2 PubChem CID: 64677

グレード＆純度 ≥95%

Synonyms

Myristyl Mercaptan | Tetradecyl Mercaptan

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

Myristyl Mercaptan | Tetradecyl Mercaptan

仕様と純度

≥95%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

528754368

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528754368

カノニカル・スマイル

CCCCCCCCCCCCCCS

IUPAC Name

tetradecane-1-thiol

InChIKey

GEKDEMKPCKTKEC-UHFFFAOYSA-N

INCHI

1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3

異性体SMILES

CCCCCCCCCCCCCCS

PubChem CID

64677

分子量

230.45

Beilstein

1(4)1867

Reaxy-Rn

1742653

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

• 感度: air sensitive
• 屈折率: 1.46
• 沸点（°C）: 310 °C
• 融点（°C）: 7 °C
• 分子量: 230.460 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.207 Da
• Monoisotopic Mass: 230.207 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 102.000
• 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