1-Docosanethiol - ≥97%(GC) , CAS No.7773-83-3

CAS: 7773-83-3 Cat. No.: D140655 分子式: C₂₂H₄₆S 分子量: 342.67 Beilstein Registry Number: 1862177 EC番号: 679-885-6

グレード＆純度 ≥97%(GC)

Synonyms

NNZMLOHQRXHPOZ-UHFFFAOYSA-N | Docosyl Mercaptan | SCHEMBL272911 | 1-Docosanethiol | D3905 | MFCD02262163 | docosane-1-thiol | NSC97595 | NSC-97595 | AKOS028108624 | DTXSID50294659 | T71330

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

NNZMLOHQRXHPOZ-UHFFFAOYSA-N | Docosyl Mercaptan | SCHEMBL272911 | 1-Docosanethiol | D3905 | MFCD02262163 | docosane-1-thiol | NSC97595 | NSC-97595 | AKOS028108624 | DTXSID50294659 | T71330

仕様と純度

≥97%(GC)

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%(GC)

名前と識別子

パブケム・シド

504758208

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504758208

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCS

IUPAC Name

docosane-1-thiol

InChIKey

NNZMLOHQRXHPOZ-UHFFFAOYSA-N

INCHI

1S/C22H46S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCS

分子量

342.67

Beilstein

1862177

Reaxy-Rn

1862177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862177&ln=

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
• 融点（°C）: 46-50℃
• 分子量: 342.700 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 342.332 Da
• Monoisotopic Mass: 342.332 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 190.000
• 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