GRADE & PURITY ≥99%

Synonyms

SCHEMBL201694 | COPPER MONOTHIOCYANATE | DTXSID0034481 | AKOS015915156 | Thiocyanic acid, copper(1+) salt | CUPROUS THIOCYANATE [MI] | COPPER THIOCYANATE (CUCNS) | Cuprous thiocyanate | C3417 | Copper(1+) thiocyanate | COPPER THIOCYANATE | FT-0656491 | UN

Storage

Room temperature

Shipped In

Normal

Overview

The crystal belongs to the orthorhombic system, space group: Pbca,a=10.994(9)?, b=7.224(3)?,c=6.662(2)?.

Specifications

Synonyms

SCHEMBL201694 | COPPER MONOTHIOCYANATE | DTXSID0034481 | AKOS015915156 | Thiocyanic acid, copper(1+) salt | CUPROUS THIOCYANATE [MI] | COPPER THIOCYANATE (CUCNS) | Cuprous thiocyanate | C3417 | Copper(1+) thiocyanate | COPPER THIOCYANATE | FT-0656491 | UN

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488183471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183471
• Canonical Smiles: C(#N)[S-].[Cu+]
• IUPAC Name: copper(1+);thiocyanate
• InChIKey: PDZKZMQQDCHTNF-UHFFFAOYSA-M
• INCHI: 1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1
• Isomeric SMILES: C(#N)[S-].[Cu+]
• WGK Germany: 3
• RTECS: GL8955000
• UN Number: 3077
• Molecular Weight: 121.63
• Reaxy-Rn: 3561118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3561118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiocyanates
      • Subclass Metal thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiocyanates
• Subclass: Metal thiocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal thiocyanates
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal thiocyanate - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as metal thiocyanates. These are metal salts of thiocyanic acid.
• 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

• Solubility: Practically insoluble in water, alcohol. Soluble in NH{4}OH, ether
• Melt Point(°C): 1084°C
• Molecular Weight: 121.630 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.905 Da
• Monoisotopic Mass: 120.905 Da
• Topological Polar Surface Area: 24.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.300
• 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: 2

XLogP3

References

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