2-Methyl-1-(methylthio)propan-2-amine - ≥97% , CAS No.36567-04-1

CAS: 36567-04-1 Cat. No.: M588894 Molecular Weight: 119.23

GRADE & PURITY ≥97%

Synonyms

2-methyl-1-methylsulfanylpropan-2-amine | AKOS006339909 | SY196988 | 1,1-dimethyl-2-(methylthio)ethylamine | 2-methyl-1-(methylsulfanyl)propan-2-amine | 2-Propanamine, 2-methyl-1-(methylthio)- | MFCD16620990 | 2-methyl-1-(methylthio)-2-Propanamine | 2-met

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

2-methyl-1-methylsulfanylpropan-2-amine | AKOS006339909 | SY196988 | 1, 1-dimethyl-2-(methylthio)ethylamine | 2-methyl-1-(methylsulfanyl)propan-2-amine | 2-Propanamine, 2-methyl-1-(methylthio)- | MFCD16620990 | 2-methyl-1-(methylthio)-2-Propanamine | 2-met

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(CSC)N
• IUPAC Name: 2-methyl-1-methylsulfanylpropan-2-amine
• InChIKey: YNOFOVLFZVOJQP-UHFFFAOYSA-N
• INCHI: 1S/C5H13NS/c1-5(2,6)4-7-3/h4,6H2,1-3H3
• Isomeric SMILES: CC(C)(CSC)N
• Molecular Weight: 119.23
• Reaxy-Rn: 2202931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2202931&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Molecular Weight: 119.230 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.077 Da
• Monoisotopic Mass: 119.077 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.000
• 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