Copper(II) Dibutyldithiocarbamate - ≥97% , CAS No.13927-71-4

CAS: 13927-71-4 Cat. No.: C294789 Molecular Weight: 472.29 EC Number: 237-695-7

GRADE & PURITY ≥97%

Synonyms

B6182 | SY284371 | Copper dibutyldithiocarbamate | E70410 | COPPER(II) BIS(DIBUTYLCARBAMODITHIOATE) | EINECS 258-105-4 | Bis(dibutylcarbamodithioato-S,S')copper | SCHEMBL251707 | Copper(II) dibutylcarbamodithioate | MFCD00137705 | Copper(II) dibutyldithio

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

B6182 | SY284371 | Copper dibutyldithiocarbamate | E70410 | COPPER(II) BIS(DIBUTYLCARBAMODITHIOATE) | EINECS 258-105-4 | Bis(dibutylcarbamodithioato-S, S')copper | SCHEMBL251707 | Copper(II) dibutylcarbamodithioate | MFCD00137705 | Copper(II) dibutyldithio

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753334
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753334
• Canonical Smiles: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu+2]
• IUPAC Name: copper;N,N-dibutylcarbamodithioate
• InChIKey: IXPUJMULXNNEHS-UHFFFAOYSA-L
• INCHI: 1S/2C9H19NS2.Cu/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
• Isomeric SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu+2]
• Molecular Weight: 472.29
• Reaxy-Rn: 3917870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: 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 Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 76℃
• Molecular Weight: 472.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 471.106 Da
• Monoisotopic Mass: 471.106 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

References

1. Yang Liu, Hailong Feng, Weiyi Li, Xueping Wang, Guoxiang Huang, Longxia Wang, Xingqiu Li, Yuxing Xie, Chenglu Liang.  (2024)  Synergy of Cu doping and SO42− adsorption in the self-optimized SO42−@Cu doped Co(OH)2 reconstructed from CuCo2S4 towards enhanced oxygen evolution reaction.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2024.04.207]