N-Methylmethanethioamide - ≥85% , CAS No.18952-41-5

CAS: 18952-41-5 Cat. No.: N768701 Formule: C₂H₅NS Poids moléculaire: 75.14 PubChem CID: 5179949

GRADE & PURITY ≥85%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Spécifications et pureté

≥85%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥85%

Noms et identifiants

• Sourires canoniques: CNC=S
• IUPAC Name: N-methylmethanethioamide
• InChIKey: YGQNFDNQDVKVAW-UHFFFAOYSA-N
• INCHI: 1S/C2H5NS/c1-3-2-4/h2H,1H3,(H,3,4)
• Isomères SMILES: CNC=S
• PubChem CID: 5179949
• Poids moléculaire: 75.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Thiocarboxylic acids and derivatives
      • Subclass Thiocarboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Thiocarboxylic acids and derivatives
• Subclass: Thiocarboxylic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocarboxylic acid amides
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiocarboxylic acid amides. These are organic compounds containing an amide of thiocarboxylic acid, with the general structure R1C(=S)N(R2)R3 (R1-R3=H, alkyl, aryl).
• 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

• Poids moléculaire: 75.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 75.0143 Da
• Monoisotopic Mass: 75.0143 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 20.000
• 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