sodium hydroxymethanesulfinate

CH3NaO3S — CID 23689980

IUPACsodium hydroxymethanesulfinate
SMILESO=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyXWGJFPHUCFXLBL-UHFFFAOYSA-M
MW118.09 g/mol
LogP-4.18
Rot. Bonds1

About sodium hydroxymethanesulfinate

sodium hydroxymethanesulfinate (PubChem CID 23689980) has the molecular formula CH3NaO3S and a molecular weight of 118.09 g/mol. Its IUPAC name is sodium hydroxymethanesulfinate.

Molecular Properties

Compound Namesodium hydroxymethanesulfinate
PubChem CID23689980
Molecular FormulaCH3NaO3S
Molecular Weight118.09 g/mol
Exact Mass117.97
IUPAC Namesodium hydroxymethanesulfinate
SMILESO=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyXWGJFPHUCFXLBL-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 ≤ 500118.09
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 sodium hydroxymethanesulfinate?
The IUPAC name of sodium hydroxymethanesulfinate (CID 23689980) is sodium hydroxymethanesulfinate.
What is the SMILES notation for sodium hydroxymethanesulfinate?
The canonical SMILES for sodium hydroxymethanesulfinate is O=S([O-])CO.[Na+].
What is the InChIKey of sodium hydroxymethanesulfinate?
The InChIKey is XWGJFPHUCFXLBL-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1.
What are the key properties of sodium hydroxymethanesulfinate?
sodium hydroxymethanesulfinate has a molecular weight of 118.09 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 sodium hydroxymethanesulfinate is sourced from PubChem (CID 23689980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).