Copper(II) Bis(2-hydroxyethyl)dithiocarbamate - ≥98%(T) , CAS No.52611-57-1

CAS: 52611-57-1 Cat. No.: C154087 Peso molecular: 424.07

GRADE & PURITY ≥98%(T)

Synonyms

copper;N,N-bis(2-hydroxyethyl)carbamodithioate | B0491 | BIS(2-HYDROXYETHYL)DITHIOCARBAMICACIDCOPPERSALT | DTXSID10333432 | MFCD00059149 | Bis(2-hydroxyethyl)dithiocarbamic Acid Copper(II) Salt | Carbamic acid, bis(2-hydroxy-ethyl)dithio-, copper(II) salt

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

copper;N, N-bis(2-hydroxyethyl)carbamodithioate | B0491 | BIS(2-HYDROXYETHYL)DITHIOCARBAMICACIDCOPPERSALT | DTXSID10333432 | MFCD00059149 | Bis(2-hydroxyethyl)dithiocarbamic Acid Copper(II) Salt | Carbamic acid, bis(2-hydroxy-ethyl)dithio-, copper(II) salt

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Cu+2]
• IUPAC Name: copper;N,N-bis(2-hydroxyethyl)carbamodithioate
• InChIKey: CWZKOKSQKMDNMW-UHFFFAOYSA-L
• INCHI: 1S/2C5H11NO2S2.Cu/c2*7-3-1-6(2-4-8)5(9)10;/h2*7-8H,1-4H2,(H,9,10);/q;;+2/p-2
• Isómeros SMILES: C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Cu+2]
• Peso molecular: 424.07
• Reaxy-Rn: 3738748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3738748&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanolamines
• Alternative Parents: Primary alcohols Organosulfur compounds Organopnictogen compounds Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organic salt - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanolamines. These are organic compounds that carry a hydroxy and an amino functional groups on an alkane backbone.
• 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: 424.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 422.96 Da
• Monoisotopic Mass: 422.96 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 98.300
• 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

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