CID 131879747

H3KNO4S — CID 131879747

IUPAC—
SMILESNOS(=O)(=O)O.[K]
InChIInChI=1S/K.H3NO4S/c;1-5-6(2,3)4/h;1H2,(H,2,3,4)
InChIKeySCOIRBGDDNCSBI-UHFFFAOYSA-N
MW152.19 g/mol
LogP-1.70
Rot. Bonds1

About CID 131879747

CID 131879747 (PubChem CID 131879747) has the molecular formula H3KNO4S and a molecular weight of 152.19 g/mol.

Molecular Properties

Compound NameCID 131879747
PubChem CID131879747
Molecular FormulaH3KNO4S
Molecular Weight152.19 g/mol
Exact Mass151.94
IUPAC Name—
SMILESNOS(=O)(=O)O.[K]
InChIInChI=1S/K.H3NO4S/c;1-5-6(2,3)4/h;1H2,(H,2,3,4)
InChIKeySCOIRBGDDNCSBI-UHFFFAOYSA-N
XLogP-1.70
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174544732
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hydroxylamine;sulfuric acid
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sulfooxy hydrogen sulfate;hydrobromide
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CID 173332753
CID 173332753
silane;sulfo hydrogen sulfate
CID 173332743
hydrazinyl hydrogen sulfate
CID 19377315
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891

Frequently Asked Questions

What is the IUPAC name of CID 131879747?
The IUPAC name of CID 131879747 (CID 131879747) is not available.
What is the SMILES notation for CID 131879747?
The canonical SMILES for CID 131879747 is NOS(=O)(=O)O.[K].
What is the InChIKey of CID 131879747?
The InChIKey is SCOIRBGDDNCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/K.H3NO4S/c;1-5-6(2,3)4/h;1H2,(H,2,3,4).
What are the key properties of CID 131879747?
CID 131879747 has a molecular weight of 152.19 g/mol, XLogP of -1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131879747 is sourced from PubChem (CID 131879747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).