hydrogen peroxide;hydroperoxy thiocyanate

CH3NO4S — CID 88608666

IUPAChydrogen peroxide;hydroperoxy thiocyanate
SMILESN#CSOO.OO
InChIInChI=1S/CHNO2S.H2O2/c2-1-5-4-3;1-2/h3H;1-2H
InChIKeyNUAHWFQOERHJSX-UHFFFAOYSA-N
MW125.10 g/mol
LogP0.62
Rot. Bonds1

About hydrogen peroxide;hydroperoxy thiocyanate

hydrogen peroxide;hydroperoxy thiocyanate (PubChem CID 88608666) has the molecular formula CH3NO4S and a molecular weight of 125.10 g/mol. Its IUPAC name is hydrogen peroxide;hydroperoxy thiocyanate.

Molecular Properties

Compound Namehydrogen peroxide;hydroperoxy thiocyanate
PubChem CID88608666
Molecular FormulaCH3NO4S
Molecular Weight125.10 g/mol
Exact Mass124.98
IUPAC Namehydrogen peroxide;hydroperoxy thiocyanate
SMILESN#CSOO.OO
InChIInChI=1S/CHNO2S.H2O2/c2-1-5-4-3;1-2/h3H;1-2H
InChIKeyNUAHWFQOERHJSX-UHFFFAOYSA-N
XLogP0.62
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 hydrogen peroxide;hydroperoxy thiocyanate?
The IUPAC name of hydrogen peroxide;hydroperoxy thiocyanate (CID 88608666) is hydrogen peroxide;hydroperoxy thiocyanate.
What is the SMILES notation for hydrogen peroxide;hydroperoxy thiocyanate?
The canonical SMILES for hydrogen peroxide;hydroperoxy thiocyanate is N#CSOO.OO.
What is the InChIKey of hydrogen peroxide;hydroperoxy thiocyanate?
The InChIKey is NUAHWFQOERHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO2S.H2O2/c2-1-5-4-3;1-2/h3H;1-2H.
What are the key properties of hydrogen peroxide;hydroperoxy thiocyanate?
hydrogen peroxide;hydroperoxy thiocyanate has a molecular weight of 125.10 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;hydroperoxy thiocyanate is sourced from PubChem (CID 88608666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).