1-Eicosanethiol - ≥95%(GC) , CAS No.13373-97-2

CAS: 13373-97-2 Cat. No.: E156181 Fórmula: C₂₀H₄₂S Peso molecular: 314.62 Número CE: 603-761-2

GRAU & PUREZA ≥95%(GC)

Synonyms

2-METHOXYCARBONYLAMINO-3H-BENZOIMIDAZOLE-5-CARBOXYLICACID | eicosanethiol | 1-icosanethiol | MFCD07779406 | 1-Eicosanethiol | ECT | AKOS025396826 | DTXSID70158345 | Icosyl Mercaptan | E0832 | Eicosyl Mercaptan | icosane-1-thiol | T71724 | SCHEMBL271560

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

2-METHOXYCARBONYLAMINO-3H-BENZOIMIDAZOLE-5-CARBOXYLICACID | eicosanethiol | 1-icosanethiol | MFCD07779406 | 1-Eicosanethiol | ECT | AKOS025396826 | DTXSID70158345 | Icosyl Mercaptan | E0832 | Eicosyl Mercaptan | icosane-1-thiol | T71724 | SCHEMBL271560

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

528754350

Sorrisos canónicos

CCCCCCCCCCCCCCCCCCCCS

IUPAC Name

icosane-1-thiol

InChIKey

YYHYWOPDNMFEAV-UHFFFAOYSA-N

INCHI

1S/C20H42S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

SMILES isoméricas

CCCCCCCCCCCCCCCCCCCCS

Peso molecular

314.62

Reaxy-Rn

1763630

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763630&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Ponto de ebulição (°C): 389°C(lit.)
• Ponto de fusão (°C): 40 °C
• Peso molecular: 314.600 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 314.301 Da
• Monoisotopic Mass: 314.301 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 167.000
• 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