ethoxymethanedithioic acid;nickel

C3H6NiOS2 — CID 54611890

IUPACethoxymethanedithioic acid;nickel
SMILESCCOC(=S)S.[Ni]
InChIInChI=1S/C3H6OS2.Ni/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);
InChIKeyFHLLXKWLZMOECC-UHFFFAOYSA-N
MW180.91 g/mol
LogP1.24
Rot. Bonds1

About ethoxymethanedithioic acid;nickel

ethoxymethanedithioic acid;nickel (PubChem CID 54611890) has the molecular formula C3H6NiOS2 and a molecular weight of 180.91 g/mol. Its IUPAC name is ethoxymethanedithioic acid;nickel.

Molecular Properties

Compound Nameethoxymethanedithioic acid;nickel
PubChem CID54611890
Molecular FormulaC3H6NiOS2
Molecular Weight180.91 g/mol
Exact Mass179.92
IUPAC Nameethoxymethanedithioic acid;nickel
SMILESCCOC(=S)S.[Ni]
InChIInChI=1S/C3H6OS2.Ni/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);
InChIKeyFHLLXKWLZMOECC-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.91
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethoxymethanedithioic acid
CID 8823
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
CID 162340121
CID 162340121
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
ethoxymethanedithioic acid;hexadecane;zinc
CID 87550227
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87182344
dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
calcium;butoxymethanedithioic acid;hydride
CID 173442028

Frequently Asked Questions

What is the IUPAC name of ethoxymethanedithioic acid;nickel?
The IUPAC name of ethoxymethanedithioic acid;nickel (CID 54611890) is ethoxymethanedithioic acid;nickel.
What is the SMILES notation for ethoxymethanedithioic acid;nickel?
The canonical SMILES for ethoxymethanedithioic acid;nickel is CCOC(=S)S.[Ni].
What is the InChIKey of ethoxymethanedithioic acid;nickel?
The InChIKey is FHLLXKWLZMOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2.Ni/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);.
What are the key properties of ethoxymethanedithioic acid;nickel?
ethoxymethanedithioic acid;nickel has a molecular weight of 180.91 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanedithioic acid;nickel is sourced from PubChem (CID 54611890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).