potassium hydroxymethanesulfinate

CH3KO3S — CID 23687972

IUPACpotassium hydroxymethanesulfinate
SMILESO=S([O-])CO.[K+]
InChIInChI=1S/CH4O3S.K/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyBQCNIFVICGRPET-UHFFFAOYSA-M
MW134.20 g/mol
LogP-4.18
Rot. Bonds1

About potassium hydroxymethanesulfinate

potassium hydroxymethanesulfinate (PubChem CID 23687972) has the molecular formula CH3KO3S and a molecular weight of 134.20 g/mol. Its IUPAC name is potassium hydroxymethanesulfinate.

Molecular Properties

Compound Namepotassium hydroxymethanesulfinate
PubChem CID23687972
Molecular FormulaCH3KO3S
Molecular Weight134.20 g/mol
Exact Mass133.94
IUPAC Namepotassium hydroxymethanesulfinate
SMILESO=S([O-])CO.[K+]
InChIInChI=1S/CH4O3S.K/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyBQCNIFVICGRPET-UHFFFAOYSA-M
XLogP-4.18
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium hydroxymethanesulfinate?
The IUPAC name of potassium hydroxymethanesulfinate (CID 23687972) is potassium hydroxymethanesulfinate.
What is the SMILES notation for potassium hydroxymethanesulfinate?
The canonical SMILES for potassium hydroxymethanesulfinate is O=S([O-])CO.[K+].
What is the InChIKey of potassium hydroxymethanesulfinate?
The InChIKey is BQCNIFVICGRPET-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.K/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1.
What are the key properties of potassium hydroxymethanesulfinate?
potassium hydroxymethanesulfinate has a molecular weight of 134.20 g/mol, XLogP of -4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hydroxymethanesulfinate is sourced from PubChem (CID 23687972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).