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

CAS: 13373-97-2 Cat. No.: E156181 Summenformel: C₂₀H₄₂S Molekulargewicht: 314.62 EG-Nummer: 603-761-2

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

528754350

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCS

Molekulargewicht

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
    • Klasse Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Siedepunkt (°C): 389°C(lit.)
• Schmelzpunkt (°C): 40 °C
• Molekulargewicht: 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