nickel;2-nitrosulfanylacetic acid

C2H3NNiO4S — CID 87857790

IUPACnickel;2-nitrosulfanylacetic acid
SMILESO=C(O)CS[N+](=O)[O-].[Ni]
InChIInChI=1S/C2H3NO4S.Ni/c4-2(5)1-8-3(6)7;/h1H2,(H,4,5);
InChIKeyYZYWLCRHGZTSMO-UHFFFAOYSA-N
MW195.81 g/mol
LogP-0.01
Rot. Bonds3

About nickel;2-nitrosulfanylacetic acid

nickel;2-nitrosulfanylacetic acid (PubChem CID 87857790) has the molecular formula C2H3NNiO4S and a molecular weight of 195.81 g/mol. Its IUPAC name is nickel;2-nitrosulfanylacetic acid.

Molecular Properties

Compound Namenickel;2-nitrosulfanylacetic acid
PubChem CID87857790
Molecular FormulaC2H3NNiO4S
Molecular Weight195.81 g/mol
Exact Mass194.91
IUPAC Namenickel;2-nitrosulfanylacetic acid
SMILESO=C(O)CS[N+](=O)[O-].[Ni]
InChIInChI=1S/C2H3NO4S.Ni/c4-2(5)1-8-3(6)7;/h1H2,(H,4,5);
InChIKeyYZYWLCRHGZTSMO-UHFFFAOYSA-N
XLogP-0.01
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.81
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel;2-nitrosulfanylacetic acid?
The IUPAC name of nickel;2-nitrosulfanylacetic acid (CID 87857790) is nickel;2-nitrosulfanylacetic acid.
What is the SMILES notation for nickel;2-nitrosulfanylacetic acid?
The canonical SMILES for nickel;2-nitrosulfanylacetic acid is O=C(O)CS[N+](=O)[O-].[Ni].
What is the InChIKey of nickel;2-nitrosulfanylacetic acid?
The InChIKey is YZYWLCRHGZTSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO4S.Ni/c4-2(5)1-8-3(6)7;/h1H2,(H,4,5);.
What are the key properties of nickel;2-nitrosulfanylacetic acid?
nickel;2-nitrosulfanylacetic acid has a molecular weight of 195.81 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;2-nitrosulfanylacetic acid is sourced from PubChem (CID 87857790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).