2-(Methylthio)acetamide - ≥98%(GC) , CAS No.22551-24-2

CAS: 22551-24-2 Cat. No.: M158330 Formule: C₃H₇NOS Poids moléculaire: 105.16 Numéro CE: 808-167-9

GRADE & PURITY ≥98%(GC)

Synonyms

C3H7NOS | AKOS008937723 | Acetamide, 2-(methylthio)- | ethyl2-(3,5-dimethoxyphenyl)acetate | J-506495 | EN300-1259143 | FT-0660513 | .alpha.-(Methylthio)acetamide | SY040648 | SCHEMBL158019 | Z33545668 | 2-(Methylsulfanyl)acetamide # | DTXSID50338249 | MF

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

C3H7NOS | AKOS008937723 | Acetamide, 2-(methylthio)- | ethyl2-(3,5-dimethoxyphenyl)acetate | J-506495 | EN300-1259143 | FT-0660513 | .alpha.-(Methylthio)acetamide | SY040648 | SCHEMBL158019 | Z33545668 | 2-(Methylsulfanyl)acetamide # | DTXSID50338249 | MF

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488190241
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190241
• Sourires canoniques: CSCC(=O)N
• IUPAC Name: 2-methylsulfanylacetamide
• InChIKey: OBENGAMZEGRSIC-UHFFFAOYSA-N
• INCHI: 1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
• Isomères SMILES: CSCC(=O)N
• Poids moléculaire: 105.16
• Reaxy-Rn: 1740197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

• Solubilité: Soluble in Methanol
• Sensibilité: Moisture sensitive.
• Point de fusion (°C): 102.0to106.0℃
• Poids moléculaire: 105.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 105.025 Da
• Monoisotopic Mass: 105.025 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 54.800
• 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