Ethanethiol, 2-(methylamino)-, hydrochloride , CAS No.33744-33-1

CAS: 33744-33-1 Cat. No.: E1318741 Formula: C₃H₁₀ClNS Peso molecolare: 127.64 Numero EC: 608-902-1

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CNCCS.Cl
• IUPAC Name: 2-(methylamino)ethanethiol;hydrochloride
• InChIKey: DFKDEYQSJVMWHX-UHFFFAOYSA-N
• INCHI: 1S/C3H9NS.ClH/c1-4-2-3-5;/h4-5H,2-3H2,1H3;1H
• Peso molecolare: 127.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Alkylthiols Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Alkylthiol - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 127.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 127.022 Da
• Monoisotopic Mass: 127.022 Da
• Topological Polar Surface Area: 13.000 Ų
• Heavy Atom Count: 6
• 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: 2

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