bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel

C10H24N6NiS2-2 — CID 50934095

IUPACbis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel
SMILESCC/N=C(\[S-])NN(C)C.CC/N=C(\[S-])NN(C)C.[Ni]
InChIInChI=1S/2C5H13N3S.Ni/c2*1-4-6-5(9)7-8(2)3;/h2*4H2,1-3H3,(H2,6,7,9);/p-2
InChIKeyQMBHBYSWNDRXLW-UHFFFAOYSA-L
MW351.17 g/mol
LogP-0.05
Rot. Bonds4

About bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel

bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel (PubChem CID 50934095) has the molecular formula C10H24N6NiS2-2 and a molecular weight of 351.17 g/mol. Its IUPAC name is bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel.

Molecular Properties

Compound Namebis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel
PubChem CID50934095
Molecular FormulaC10H24N6NiS2-2
Molecular Weight351.17 g/mol
Exact Mass350.09
IUPAC Namebis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel
SMILESCC/N=C(\[S-])NN(C)C.CC/N=C(\[S-])NN(C)C.[Ni]
InChIInChI=1S/2C5H13N3S.Ni/c2*1-4-6-5(9)7-8(2)3;/h2*4H2,1-3H3,(H2,6,7,9);/p-2
InChIKeyQMBHBYSWNDRXLW-UHFFFAOYSA-L
XLogP-0.05
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(dimethylamino)-N'-ethylcarbamimidothioate);nickel?
The IUPAC name of bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel (CID 50934095) is bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel.
What is the SMILES notation for bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel?
The canonical SMILES for bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel is CC/N=C(\[S-])NN(C)C.CC/N=C(\[S-])NN(C)C.[Ni].
What is the InChIKey of bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel?
The InChIKey is QMBHBYSWNDRXLW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H13N3S.Ni/c2*1-4-6-5(9)7-8(2)3;/h2*4H2,1-3H3,(H2,6,7,9);/p-2.
What are the key properties of bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel?
bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel has a molecular weight of 351.17 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(dimethylamino)-N'-ethylcarbamimidothioate);nickel is sourced from PubChem (CID 50934095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).