bis(N-methylcarbamodithioate);nickel(2+)

C4H8N2NiS4 — CID 4585014

IUPACbis(N-methylcarbamodithioate);nickel(2+)
SMILESCNC(=S)[S-].CNC(=S)[S-].[Ni+2]
InChIInChI=1S/2C2H5NS2.Ni/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2
InChIKeyVSMIONIIXZFBFZ-UHFFFAOYSA-L
MW271.08 g/mol
LogP0.07
Rot. Bonds

About bis(N-methylcarbamodithioate);nickel(2+)

bis(N-methylcarbamodithioate);nickel(2+) (PubChem CID 4585014) has the molecular formula C4H8N2NiS4 and a molecular weight of 271.08 g/mol. Its IUPAC name is bis(N-methylcarbamodithioate);nickel(2+).

Molecular Properties

Compound Namebis(N-methylcarbamodithioate);nickel(2+)
PubChem CID4585014
Molecular FormulaC4H8N2NiS4
Molecular Weight271.08 g/mol
Exact Mass269.89
IUPAC Namebis(N-methylcarbamodithioate);nickel(2+)
SMILESCNC(=S)[S-].CNC(=S)[S-].[Ni+2]
InChIInChI=1S/2C2H5NS2.Ni/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2
InChIKeyVSMIONIIXZFBFZ-UHFFFAOYSA-L
XLogP0.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-methylcarbamodithioate);nickel(2+)?
The IUPAC name of bis(N-methylcarbamodithioate);nickel(2+) (CID 4585014) is bis(N-methylcarbamodithioate);nickel(2+).
What is the SMILES notation for bis(N-methylcarbamodithioate);nickel(2+)?
The canonical SMILES for bis(N-methylcarbamodithioate);nickel(2+) is CNC(=S)[S-].CNC(=S)[S-].[Ni+2].
What is the InChIKey of bis(N-methylcarbamodithioate);nickel(2+)?
The InChIKey is VSMIONIIXZFBFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5NS2.Ni/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2.
What are the key properties of bis(N-methylcarbamodithioate);nickel(2+)?
bis(N-methylcarbamodithioate);nickel(2+) has a molecular weight of 271.08 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methylcarbamodithioate);nickel(2+) is sourced from PubChem (CID 4585014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).