potassium 2-methoxybenzenesulfinate

C7H7KO3S — CID 70117508

IUPACpotassium 2-methoxybenzenesulfinate
SMILESCOc1ccccc1S(=O)[O-].[K+]
InChIInChI=1S/C7H8O3S.K/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyANAYJDKBBZIURN-UHFFFAOYSA-M
MW210.29 g/mol
LogP-2.06
Rot. Bonds2

About potassium 2-methoxybenzenesulfinate

potassium 2-methoxybenzenesulfinate (PubChem CID 70117508) has the molecular formula C7H7KO3S and a molecular weight of 210.29 g/mol. Its IUPAC name is potassium 2-methoxybenzenesulfinate.

Molecular Properties

Compound Namepotassium 2-methoxybenzenesulfinate
PubChem CID70117508
Molecular FormulaC7H7KO3S
Molecular Weight210.29 g/mol
Exact Mass209.98
IUPAC Namepotassium 2-methoxybenzenesulfinate
SMILESCOc1ccccc1S(=O)[O-].[K+]
InChIInChI=1S/C7H8O3S.K/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyANAYJDKBBZIURN-UHFFFAOYSA-M
XLogP-2.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
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 2-methoxybenzenesulfinate?
The IUPAC name of potassium 2-methoxybenzenesulfinate (CID 70117508) is potassium 2-methoxybenzenesulfinate.
What is the SMILES notation for potassium 2-methoxybenzenesulfinate?
The canonical SMILES for potassium 2-methoxybenzenesulfinate is COc1ccccc1S(=O)[O-].[K+].
What is the InChIKey of potassium 2-methoxybenzenesulfinate?
The InChIKey is ANAYJDKBBZIURN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3S.K/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-methoxybenzenesulfinate?
potassium 2-methoxybenzenesulfinate has a molecular weight of 210.29 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methoxybenzenesulfinate is sourced from PubChem (CID 70117508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).