Dibutyldithiocarbamic Acid Nickel Salt - ≥97%(T) , CAS No.13927-77-0

CAS: 13927-77-0 Cat. No.: N159261 Peso molecular: 467.43 Número EC: 237-696-2

GRADE & PURITY ≥97%(T)

Synonyms

NSC-4797 | Q15991988 | Carbamodithioic acid, dibutyl-, nickel(2+) salt | Rylex NBC | SCHEMBL76749 | AKOS015839727 | Carbamic acid, dibutyldithio-, nickel salt | 99D240X626 | Nickel, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)- | Nickel dibu

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC-4797 | Q15991988 | Carbamodithioic acid, dibutyl-, nickel(2+) salt | Rylex NBC | SCHEMBL76749 | AKOS015839727 | Carbamic acid, dibutyldithio-, nickel salt | 99D240X626 | Nickel, bis(dibutylcarbamodithioato-.kappa.S, .kappa.S')-, (SP-4-1)- | Nickel dibu

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488195679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195679
• Sonrisas canónicas: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
• IUPAC Name: N,N-dibutylcarbamodithioate;nickel(2+)
• InChIKey: HPOWMHUJHHIQGP-UHFFFAOYSA-L
• INCHI: 1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
• Isómeros SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
• RTECS: QR6140000
• Peso molecular: 467.43
• Reaxy-Rn: 3917871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917871&ln=

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

• Solubilidad: Solubility in water: Practically insoluble; Very soluble in Benzene,Chloroform,Toluene,Acetone; Slightly soluble in Methanol,Ethanol
• Punto de fusión (°C): 89 °C
• Peso molecular: 467.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 466.111 Da
• Monoisotopic Mass: 466.111 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 112.000
• 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

Referencias

1. Huichuan Tang, Zhi Li, Aojie Li, Shuntao Wen, Minghong Liu, Liang Chen, Yucan Zhu, Gangyong Li, Zhaohui Hou, Wei Wang.  (2024)  Dual-Carbon-Source electrospinning for hierarchical NiS/Carbon fibers composites with Vine-Like Morphology toward enhanced lithium storage.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2024.121157]

2. Xiaoyan Zhou, Liqin Li, Huanxiu Zou, Huichuan Tang, Aojie Li, Enxiang Liang, Hong Yin, Liang Chen, Zhaohui Hou, Wei Wang.  (2025)  Fe-doped Ni3S2 nanocrystals in porous carbon composites: Root-whisker-like structures for boosted lithium storage kinetics.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.115591]