N-[amino(methylsulfanyl)methylidene]guanidine hydroiodide , CAS No.14945-92-7

CAS: 14945-92-7 Cat. No.: N944074 Peso molecular: 260.1 Número EC: 966-035-7 PubChem CID: 71757715

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CSC(=N)N=C(N)N.I
• IUPAC Name: methyl N-(diaminomethylidene)carbamimidothioate;hydroiodide
• InChIKey: PGWVITGVIBSMTK-UHFFFAOYSA-N
• INCHI: 1S/C3H8N4S.HI/c1-8-3(6)7-2(4)5;/h1H3,(H5,4,5,6,7);1H
• Isómeros SMILES: CSC(=N)N=C(N)N.I
• PubChem CID: 71757715
• Peso molecular: 260.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic iodide salts Imines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Imine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

Propiedades químicas y físicas

• Peso molecular: 260.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 259.959 Da
• Monoisotopic Mass: 259.959 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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: 2

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