dodecane;sulfanylidenenickel

C12H25NiS- — CID 167433240

IUPACdodecane;sulfanylidenenickel
SMILESS=[Ni].[CH2-]CCCCCCCCCCC
InChIInChI=1S/C12H25.Ni.S/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;/q-1;;
InChIKeyDQJUITCJMAASPU-UHFFFAOYSA-N
MW260.09 g/mol
LogP5.39
Rot. Bonds9

About dodecane;sulfanylidenenickel

dodecane;sulfanylidenenickel (PubChem CID 167433240) has the molecular formula C12H25NiS- and a molecular weight of 260.09 g/mol. Its IUPAC name is dodecane;sulfanylidenenickel.

Molecular Properties

Compound Namedodecane;sulfanylidenenickel
PubChem CID167433240
Molecular FormulaC12H25NiS-
Molecular Weight260.09 g/mol
Exact Mass259.10
IUPAC Namedodecane;sulfanylidenenickel
SMILESS=[Ni].[CH2-]CCCCCCCCCCC
InChIInChI=1S/C12H25.Ni.S/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;/q-1;;
InChIKeyDQJUITCJMAASPU-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.09
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

heptadecane
CID 156905849
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
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bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032
manganese;tetradecane
CID 173260191
lithium heptadecane
CID 12950399
tetrakis(dodecane);zirconium(4+)
CID 173426195

Frequently Asked Questions

What is the IUPAC name of dodecane;sulfanylidenenickel?
The IUPAC name of dodecane;sulfanylidenenickel (CID 167433240) is dodecane;sulfanylidenenickel.
What is the SMILES notation for dodecane;sulfanylidenenickel?
The canonical SMILES for dodecane;sulfanylidenenickel is S=[Ni].[CH2-]CCCCCCCCCCC.
What is the InChIKey of dodecane;sulfanylidenenickel?
The InChIKey is DQJUITCJMAASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Ni.S/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;/q-1;;.
What are the key properties of dodecane;sulfanylidenenickel?
dodecane;sulfanylidenenickel has a molecular weight of 260.09 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;sulfanylidenenickel is sourced from PubChem (CID 167433240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).