sodium hydroxymethanesulfinic acid

CH4NaO3S+ — CID 22323430

IUPACsodium hydroxymethanesulfinic acid
SMILESO=S(O)CO.[Na+]
InChIInChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1
InChIKeyXWGJFPHUCFXLBL-UHFFFAOYSA-N
MW119.10 g/mol
LogP-3.84
Rot. Bonds1

About sodium hydroxymethanesulfinic acid

sodium hydroxymethanesulfinic acid (PubChem CID 22323430) has the molecular formula CH4NaO3S+ and a molecular weight of 119.10 g/mol. Its IUPAC name is sodium hydroxymethanesulfinic acid.

Molecular Properties

Compound Namesodium hydroxymethanesulfinic acid
PubChem CID22323430
Molecular FormulaCH4NaO3S+
Molecular Weight119.10 g/mol
Exact Mass118.98
IUPAC Namesodium hydroxymethanesulfinic acid
SMILESO=S(O)CO.[Na+]
InChIInChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1
InChIKeyXWGJFPHUCFXLBL-UHFFFAOYSA-N
XLogP-3.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.10
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 hydroxymethanesulfinic acid?
The IUPAC name of sodium hydroxymethanesulfinic acid (CID 22323430) is sodium hydroxymethanesulfinic acid.
What is the SMILES notation for sodium hydroxymethanesulfinic acid?
The canonical SMILES for sodium hydroxymethanesulfinic acid is O=S(O)CO.[Na+].
What is the InChIKey of sodium hydroxymethanesulfinic acid?
The InChIKey is XWGJFPHUCFXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1.
What are the key properties of sodium hydroxymethanesulfinic acid?
sodium hydroxymethanesulfinic acid has a molecular weight of 119.10 g/mol, XLogP of -3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxymethanesulfinic acid is sourced from PubChem (CID 22323430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).