Ethanesulfonyl isocyanate - ≥95% , CAS No.14604-85-4

CAS: 14604-85-4 Cat. No.: E941894 Formule: C₃H₅NO₃S Poids moléculaire: 135.140 Numéro CE: 990-920-7

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CCS(=O)(=O)N=C=O

IUPAC Name

N-(oxomethylidene)ethanesulfonamide

InChIKey

SFWQPYSIXMKRKF-UHFFFAOYSA-N

INCHI

1S/C3H5NO3S/c1-2-8(6,7)4-3-5/h2H2,1H3

Poids moléculaire

135.140

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfonyls
      • Subclass Sulfonyl isocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfonyls
• Subclass: Sulfonyl isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl isocyanates
• Alternative Parents: Organosulfonic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl isocyanate - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl isocyanates. These are organosulfur compounds that contain a sulfonyl group connected to an isocyanate group.
• 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: 135.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 134.999 Da
• Monoisotopic Mass: 134.999 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 193.000
• 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