2-hydroperoxysulfanylacetonitrile;rutherfordium

C2H3NO2RfS — CID 58858638

IUPAC2-hydroperoxysulfanylacetonitrile;rutherfordium
SMILESN#CCSOO.[Rf]
InChIInChI=1S/C2H3NO2S.Rf/c3-1-2-6-5-4;/h4H,2H2;
InChIKeyOTINRLFPMXCMEF-UHFFFAOYSA-N
MW372.12 g/mol
LogP0.65
Rot. Bonds2

About 2-hydroperoxysulfanylacetonitrile;rutherfordium

2-hydroperoxysulfanylacetonitrile;rutherfordium (PubChem CID 58858638) has the molecular formula C2H3NO2RfS and a molecular weight of 372.12 g/mol. Its IUPAC name is 2-hydroperoxysulfanylacetonitrile;rutherfordium.

Molecular Properties

Compound Name2-hydroperoxysulfanylacetonitrile;rutherfordium
PubChem CID58858638
Molecular FormulaC2H3NO2RfS
Molecular Weight372.12 g/mol
Exact Mass372.11
IUPAC Name2-hydroperoxysulfanylacetonitrile;rutherfordium
SMILESN#CCSOO.[Rf]
InChIInChI=1S/C2H3NO2S.Rf/c3-1-2-6-5-4;/h4H,2H2;
InChIKeyOTINRLFPMXCMEF-UHFFFAOYSA-N
XLogP0.65
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.12
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxysulfanylacetonitrile;rutherfordium?
The IUPAC name of 2-hydroperoxysulfanylacetonitrile;rutherfordium (CID 58858638) is 2-hydroperoxysulfanylacetonitrile;rutherfordium.
What is the SMILES notation for 2-hydroperoxysulfanylacetonitrile;rutherfordium?
The canonical SMILES for 2-hydroperoxysulfanylacetonitrile;rutherfordium is N#CCSOO.[Rf].
What is the InChIKey of 2-hydroperoxysulfanylacetonitrile;rutherfordium?
The InChIKey is OTINRLFPMXCMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO2S.Rf/c3-1-2-6-5-4;/h4H,2H2;.
What are the key properties of 2-hydroperoxysulfanylacetonitrile;rutherfordium?
2-hydroperoxysulfanylacetonitrile;rutherfordium has a molecular weight of 372.12 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxysulfanylacetonitrile;rutherfordium is sourced from PubChem (CID 58858638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).