Nickel, bis(N,N-dimethylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- , CAS No.15521-65-0

CAS: 15521-65-0 Cat. No.: N995962 Número EC: 239-560-8 PubChem CID: 84966

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ni+2]
• IUPAC Name: N,N-dimethylcarbamodithioate;nickel(2+)
• InChIKey: BLCKKNLGFULNRC-UHFFFAOYSA-L
• INCHI: 1S/2C3H7NS2.Ni/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
• Isómeros SMILES: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ni+2]
• CAS alternativo: 15521-65-0
• PubChem CID: 84966

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Clase Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Clase: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• 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: 299.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 297.924 Da
• Monoisotopic Mass: 297.924 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 54.300
• 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: 3

XLogP3