bis(N-amino-N-ethylcarbamodithioate);nickel(2+)

C6H14N4NiS4 — CID 4589381

IUPACbis(N-amino-N-ethylcarbamodithioate);nickel(2+)
SMILESCCN(N)C(=S)[S-].CCN(N)C(=S)[S-].[Ni+2]
InChIInChI=1S/2C3H8N2S2.Ni/c2*1-2-5(4)3(6)7;/h2*2,4H2,1H3,(H,6,7);/q;;+2/p-2
InChIKeyQRYDZXKVNPXINM-UHFFFAOYSA-L
MW329.17 g/mol
LogP0.03
Rot. Bonds2

About bis(N-amino-N-ethylcarbamodithioate);nickel(2+)

bis(N-amino-N-ethylcarbamodithioate);nickel(2+) (PubChem CID 4589381) has the molecular formula C6H14N4NiS4 and a molecular weight of 329.17 g/mol. Its IUPAC name is bis(N-amino-N-ethylcarbamodithioate);nickel(2+).

Molecular Properties

Compound Namebis(N-amino-N-ethylcarbamodithioate);nickel(2+)
PubChem CID4589381
Molecular FormulaC6H14N4NiS4
Molecular Weight329.17 g/mol
Exact Mass327.95
IUPAC Namebis(N-amino-N-ethylcarbamodithioate);nickel(2+)
SMILESCCN(N)C(=S)[S-].CCN(N)C(=S)[S-].[Ni+2]
InChIInChI=1S/2C3H8N2S2.Ni/c2*1-2-5(4)3(6)7;/h2*2,4H2,1H3,(H,6,7);/q;;+2/p-2
InChIKeyQRYDZXKVNPXINM-UHFFFAOYSA-L
XLogP0.03
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylcarbamodithioate
CID 28343
CID 171395735
CID 171395735
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
CID 19880505
CID 19880505
bis(N,N-diethylcarbamodithioate);tin(2+);chloride
CID 21124785
copper bis(N-ethyl-N-methylcarbamodithioate)
CID 18793600
bis(N,N-diethylcarbamodithioate);tin(4+);chloride
CID 21124784
tetrakis(N,N-diethylcarbamodithioate);triiodomolybdenum
CID 5149899
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
sodium N,N-dipropylcarbamodithioate
CID 539731
zinc;N,N-diethylcarbamodithioate;diethylcarbamodithioic acid
CID 160652871
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102

Frequently Asked Questions

What is the IUPAC name of bis(N-amino-N-ethylcarbamodithioate);nickel(2+)?
The IUPAC name of bis(N-amino-N-ethylcarbamodithioate);nickel(2+) (CID 4589381) is bis(N-amino-N-ethylcarbamodithioate);nickel(2+).
What is the SMILES notation for bis(N-amino-N-ethylcarbamodithioate);nickel(2+)?
The canonical SMILES for bis(N-amino-N-ethylcarbamodithioate);nickel(2+) is CCN(N)C(=S)[S-].CCN(N)C(=S)[S-].[Ni+2].
What is the InChIKey of bis(N-amino-N-ethylcarbamodithioate);nickel(2+)?
The InChIKey is QRYDZXKVNPXINM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8N2S2.Ni/c2*1-2-5(4)3(6)7;/h2*2,4H2,1H3,(H,6,7);/q;;+2/p-2.
What are the key properties of bis(N-amino-N-ethylcarbamodithioate);nickel(2+)?
bis(N-amino-N-ethylcarbamodithioate);nickel(2+) has a molecular weight of 329.17 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-amino-N-ethylcarbamodithioate);nickel(2+) is sourced from PubChem (CID 4589381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).