1,4-piperazinedicarbodithioic acid, disodium salt , CAS No.877-78-1

CAS: 877-78-1 Cat. No.: P1255105 Peso molecular: 282.4 Número EC: 816-502-5

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C(=S)[S-])C(=S)[S-].[Na+].[Na+]
• IUPAC Name: disodium;piperazine-1,4-dicarbodithioate
• InChIKey: ZCVJLQSBJNPBQE-UHFFFAOYSA-L
• INCHI: 1S/C6H10N2S4.2Na/c9-5(10)7-1-2-8(4-3-7)6(11)12;;/h1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
• Peso molecular: 282.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Dithiocarbamic acids and derivatives
      • Subclass Dithiocarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Dithiocarbamic acids and derivatives
• Subclass: Dithiocarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ethylene bisdithiocarbamates
• Alternative Parents: Piperazines Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ethylene bisdithiocarbamate - Piperazine - 1,4-diazinane - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class.
• 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: 282.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 281.937 Da
• Monoisotopic Mass: 281.937 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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: 3

XLogP3