Methanesulfinamide - ≥97% , CAS No.18649-16-6

CAS: 18649-16-6 Cat. No.: M1041735 Formule: CH₅NOS Poids moléculaire: 79.120

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CS(=O)N

IUPAC Name

methanesulfinamide

InChIKey

SZEHYTUQQCTUQK-UHFFFAOYSA-N

INCHI

1S/CH5NOS/c1-4(2)3/h2H2,1H3

Poids moléculaire

79.120

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Sulfinic acids and derivatives
• Subclass: Sulfinic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinic acid amides
• Alternative Parents: Aminosulfinyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aminosulfinyl compound - Sulfinic acid amide - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfinic acid amides. These are compounds derived from a sulfinic acid, RS(=O)OH (R not H), by replacement of -OH by -NR2.
• 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: 79.120 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 79.0092 Da
• Monoisotopic Mass: 79.0092 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 35.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1