sodium hydroxymethanesulfonate

CH3NaO4S — CID 2723822

IUPACsodium hydroxymethanesulfonate
SMILESO=S(=O)([O-])CO.[Na+]
InChIInChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyUOULCEYHQNCFFH-UHFFFAOYSA-M
MW134.09 g/mol
LogP-4.51
Rot. Bonds1

About sodium hydroxymethanesulfonate

sodium hydroxymethanesulfonate (PubChem CID 2723822) has the molecular formula CH3NaO4S and a molecular weight of 134.09 g/mol. Its IUPAC name is sodium hydroxymethanesulfonate.

Molecular Properties

Compound Namesodium hydroxymethanesulfonate
PubChem CID2723822
Molecular FormulaCH3NaO4S
Molecular Weight134.09 g/mol
Exact Mass133.96
IUPAC Namesodium hydroxymethanesulfonate
SMILESO=S(=O)([O-])CO.[Na+]
InChIInChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyUOULCEYHQNCFFH-UHFFFAOYSA-M
XLogP-4.51
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-4.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium hydroxymethanesulfonate?
The IUPAC name of sodium hydroxymethanesulfonate (CID 2723822) is sodium hydroxymethanesulfonate.
What is the SMILES notation for sodium hydroxymethanesulfonate?
The canonical SMILES for sodium hydroxymethanesulfonate is O=S(=O)([O-])CO.[Na+].
What is the InChIKey of sodium hydroxymethanesulfonate?
The InChIKey is UOULCEYHQNCFFH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1.
What are the key properties of sodium hydroxymethanesulfonate?
sodium hydroxymethanesulfonate has a molecular weight of 134.09 g/mol, XLogP of -4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxymethanesulfonate is sourced from PubChem (CID 2723822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).