Nickel(II) Dibutyldithiocarbamate

Inquiry

Molecular Formula:

C18H36N2NiS4

Molecular Weight:

467.43

CAS Number:

13927-77-0

Catalog Number:

13927-77-0

Product Information

Molecular Formula:

C18H36N2NiS4

Molecular Weight:

467.43

Description

Nickel(II) Dibutyldithiocarbamate is a biomedical compound with remarkable implications and is chiefly employed for its outstanding aptitude in combating cancer. Its formidable characteristic resides in its proficiency to impede the proliferation and metastasis of cancerous cells. Moreover, it showcases auspicious prospects in addressing an array of sturdy tumors and hematological malignancies. The mechanism behind Nickel(II) Dibutyldithiocarbamate operates through its targeted interferences within cellular pathways implicated in tumor advancement, ultimately repressing the expansion of malignant cells.

Synonyms

Dibutyldithiocarbamic Acid Nickel(II) Salt||||Nickel(II) Bis(dibutyldithiocarbamate)

IUPAC Name

N,N-dibutylcarbamodithioatenickel(2+)

Canonical SMILES

CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]

InChI

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

InChI Key

HPOWMHUJHHIQGP-UHFFFAOYSA-L

Melting Point

89 °C

Purity

>97.0%(T)

Density

1.26

Appearance

Green to Dark green powder to crystal

Application

Used as accelerator for rubber vulcanization and an antioxidant for synthetic rubbers.

Decomposition

Toxic gases and vapors (such as nickel carbonyl) may be released ... in the decomp of nickel cmpd. /Nickel & sol nickel cmpd/

Safety Information

Hazards

H317:
May cause an allergic skin reaction.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H350:
May cause cancer.
H372:
Causes damage to organs through prolonged or repeated exposure.
H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
P308+P313:
If exposed or concerned:
Get medical advice/attention.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

466.111476 g/mol

Monoisotopic Mass

466.111476 g/mol

Topological Polar Surface Area

72.7Å²

Heavy Atom Count

Formal Charge

Complexity

112

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Nickel(II) Dibutyldithiocarbamate

Product Information

Safety Information

Computed Properties

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