Nickel sulfide (Ni7S6) - ≥99.9% metals basis , CAS No.12503-53-6

CAS: 12503-53-6 Cat. No.: N955374 Molecular Weight: 90.760

GRADE & PURITY ≥99.9% metals basis

Storage

Room temperature

Specifications

Specifications & Purity

≥99.9% metals basis

Storage

Room temperature

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: [S-2].[Ni+2]
• IUPAC Name: nickel(2+);sulfide
• InChIKey: ADGNAMGSVYAHHD-UHFFFAOYSA-N
• INCHI: 1S/Ni.S/q+2;-2
• Molecular Weight: 90.760

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal organides
      • Subclass Transition metal sulfides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Transition metal organides
• Subclass: Transition metal sulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal sulfides
• Alternative Parents: Inorganic sulfides Inorganic salts Inorganic nickel compounds
• Molecular Framework: Not available
• Substituents: Transition metal sulfide - Inorganic sulfide - Inorganic salt - Inorganic nickel compound
• Description: This compound belongs to the class of inorganic compounds known as transition metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
• 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

Chemical and Physical Properties

• Molecular Weight: 90.760 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 89.9074 Da
• Monoisotopic Mass: 89.9074 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 2
• Formal Charge: 0
• Complexity: 0.000
• 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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