nickel;1-sulfanylethanol

C2H6NiOS — CID 174917058

IUPACnickel;1-sulfanylethanol
SMILESCC(O)S.[Ni]
InChIInChI=1S/C2H6OS.Ni/c1-2(3)4;/h2-4H,1H3;
InChIKeyIFGBRAHTAJRRPH-UHFFFAOYSA-N
MW136.83 g/mol
LogP0.25
Rot. Bonds

About nickel;1-sulfanylethanol

nickel;1-sulfanylethanol (PubChem CID 174917058) has the molecular formula C2H6NiOS and a molecular weight of 136.83 g/mol. Its IUPAC name is nickel;1-sulfanylethanol.

Molecular Properties

Compound Namenickel;1-sulfanylethanol
PubChem CID174917058
Molecular FormulaC2H6NiOS
Molecular Weight136.83 g/mol
Exact Mass135.95
IUPAC Namenickel;1-sulfanylethanol
SMILESCC(O)S.[Ni]
InChIInChI=1S/C2H6OS.Ni/c1-2(3)4;/h2-4H,1H3;
InChIKeyIFGBRAHTAJRRPH-UHFFFAOYSA-N
XLogP0.25
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.83
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nickel;1-sulfanylethanol?
The IUPAC name of nickel;1-sulfanylethanol (CID 174917058) is nickel;1-sulfanylethanol.
What is the SMILES notation for nickel;1-sulfanylethanol?
The canonical SMILES for nickel;1-sulfanylethanol is CC(O)S.[Ni].
What is the InChIKey of nickel;1-sulfanylethanol?
The InChIKey is IFGBRAHTAJRRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.Ni/c1-2(3)4;/h2-4H,1H3;.
What are the key properties of nickel;1-sulfanylethanol?
nickel;1-sulfanylethanol has a molecular weight of 136.83 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;1-sulfanylethanol is sourced from PubChem (CID 174917058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).