2-(Methylthio)ethylamine - ≥96% , CAS No.18542-42-2

CAS: 18542-42-2 Cat. No.: M1375355 Peso molecular: 91.18 Beilstein Registry Number: 1731099 Número EC: 242-412-5

GRADE & PURITY ≥96%

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application

2-(Methylthio)ethylamine is a pharmaceutical intermediate.

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CSCCN
• IUPAC Name: 2-methylsulfanylethanamine
• InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N
• INCHI: 1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
• Isómeros SMILES: CSCCN
• WGK Alemania: 3
• Número ONU: 2734
• Peso molecular: 91.18
• Beilstein: 1731099
• Reaxy-Rn: 1731099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731099&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.495
• Punto de inflamación (°F): 96.8 °F
• Punto de inflamación (°C): 48 °C
• Punto de ebullición (°C): 146-149°C
• Peso molecular: 91.180 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 91.0456 Da
• Monoisotopic Mass: 91.0456 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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