2-(Ethylthio)ethanol - ≥98%(GC) , CAS No.110-77-0

CAS: 110-77-0 Cat. No.: E156428 Formule: C₄H₁₀OS Poids moléculaire: 106.18 Beilstein Registry Number: 1(2)525 Numéro CE: 203-802-0

GRADE & PURITY ≥98%(GC)

Synonyms

Ethanol, 2-(ethylthio)- | SCHEMBL22177 | 2-ethylsulfanylethanol | 2-(Ethylsulfanyl)ethanol # | 2-(ethylthio)ethan-1-ol | NSC57105 | NSC-57105 | .beta.-Hydroxydiethyl sulfide | 2-ethylmercaptoethanol | 2-ethylmercapto-ethanol | 2-(Ethylsulfanyl)ethanol | 2

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

Ethanol, 2-(ethylthio)- | SCHEMBL22177 | 2-ethylsulfanylethanol | 2-(Ethylsulfanyl)ethanol # | 2-(ethylthio)ethan-1-ol | NSC57105 | NSC-57105 | .beta.-Hydroxydiethyl sulfide | 2-ethylmercaptoethanol | 2-ethylmercapto-ethanol | 2-(Ethylsulfanyl)ethanol | 2

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 528756040
• Sourires canoniques: CCSCCO
• IUPAC Name: 2-ethylsulfanylethanol
• InChIKey: LNRIEBFNWGMXKP-UHFFFAOYSA-N
• INCHI: 1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3
• Isomères SMILES: CCSCCO
• WGK Allemagne: 2
• RTECS: KL1225000
• Numéro ONU: 1760
• Groupe d'emballage: III
• Poids moléculaire: 106.18
• Beilstein: 1(2)525
• Reaxy-Rn: 1731373
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731373&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.49
• Point d'éclair (°F): 93°C(lit.)
• Point d'éclair (°C): 93°C
• Point d'ébullition (°C): 182°C
• Point de fusion (°C): -100 °C
• Poids moléculaire: 106.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 106.045 Da
• Monoisotopic Mass: 106.045 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 23.500
• 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