CID 173220382

H3BKO4S — CID 173220382

IUPAC—
SMILESO=S(=O)(O)O.[B].[H-].[K+]
InChIInChI=1S/B.K.H2O4S.H/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyHLRVFTCVLGKJRI-UHFFFAOYSA-N
MW149.00 g/mol
LogP-3.92
Rot. Bonds

About CID 173220382

CID 173220382 (PubChem CID 173220382) has the molecular formula H3BKO4S and a molecular weight of 149.00 g/mol.

Molecular Properties

Compound NameCID 173220382
PubChem CID173220382
Molecular FormulaH3BKO4S
Molecular Weight149.00 g/mol
Exact Mass148.95
IUPAC Name—
SMILESO=S(=O)(O)O.[B].[H-].[K+]
InChIInChI=1S/B.K.H2O4S.H/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyHLRVFTCVLGKJRI-UHFFFAOYSA-N
XLogP-3.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.00
LogP ≤ 5-3.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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beryllium;hydride;sulfuric acid
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disodium;hydride;sulfuric acid
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Frequently Asked Questions

What is the IUPAC name of CID 173220382?
The IUPAC name of CID 173220382 (CID 173220382) is not available.
What is the SMILES notation for CID 173220382?
The canonical SMILES for CID 173220382 is O=S(=O)(O)O.[B].[H-].[K+].
What is the InChIKey of CID 173220382?
The InChIKey is HLRVFTCVLGKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/B.K.H2O4S.H/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of CID 173220382?
CID 173220382 has a molecular weight of 149.00 g/mol, XLogP of -3.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173220382 is sourced from PubChem (CID 173220382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).