potassium;hydride;oxiran-2-yl methanesulfonate

C3H7KO4S — CID 175455854

IUPACpotassium;hydride;oxiran-2-yl methanesulfonate
SMILESCS(=O)(=O)OC1CO1.[H-].[K+]
InChIInChI=1S/C3H6O4S.K.H/c1-8(4,5)7-3-2-6-3;;/h3H,2H2,1H3;;/q;+1;-1
InChIKeyPBEUXRKMTZAFOG-UHFFFAOYSA-N
MW178.25 g/mol
LogP-3.56
Rot. Bonds2

About potassium;hydride;oxiran-2-yl methanesulfonate

potassium;hydride;oxiran-2-yl methanesulfonate (PubChem CID 175455854) has the molecular formula C3H7KO4S and a molecular weight of 178.25 g/mol. Its IUPAC name is potassium;hydride;oxiran-2-yl methanesulfonate.

Molecular Properties

Compound Namepotassium;hydride;oxiran-2-yl methanesulfonate
PubChem CID175455854
Molecular FormulaC3H7KO4S
Molecular Weight178.25 g/mol
Exact Mass177.97
IUPAC Namepotassium;hydride;oxiran-2-yl methanesulfonate
SMILESCS(=O)(=O)OC1CO1.[H-].[K+]
InChIInChI=1S/C3H6O4S.K.H/c1-8(4,5)7-3-2-6-3;;/h3H,2H2,1H3;;/q;+1;-1
InChIKeyPBEUXRKMTZAFOG-UHFFFAOYSA-N
XLogP-3.56
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;oxiran-2-yl methanesulfonate?
The IUPAC name of potassium;hydride;oxiran-2-yl methanesulfonate (CID 175455854) is potassium;hydride;oxiran-2-yl methanesulfonate.
What is the SMILES notation for potassium;hydride;oxiran-2-yl methanesulfonate?
The canonical SMILES for potassium;hydride;oxiran-2-yl methanesulfonate is CS(=O)(=O)OC1CO1.[H-].[K+].
What is the InChIKey of potassium;hydride;oxiran-2-yl methanesulfonate?
The InChIKey is PBEUXRKMTZAFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4S.K.H/c1-8(4,5)7-3-2-6-3;;/h3H,2H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;oxiran-2-yl methanesulfonate?
potassium;hydride;oxiran-2-yl methanesulfonate has a molecular weight of 178.25 g/mol, XLogP of -3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;oxiran-2-yl methanesulfonate is sourced from PubChem (CID 175455854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).