sodium;hydroxymethanesulfinate;hydrate

CH5NaO4S — CID 23712042

IUPACsodium;hydroxymethanesulfinate;hydrate
SMILESO.O=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na.H2O/c2-1-5(3)4;;/h2H,1H2,(H,3,4);;1H2/q;+1;/p-1
InChIKeyZKODLPLYXXUCHB-UHFFFAOYSA-M
MW136.10 g/mol
LogP-5.01
Rot. Bonds1

About sodium;hydroxymethanesulfinate;hydrate

sodium;hydroxymethanesulfinate;hydrate (PubChem CID 23712042) has the molecular formula CH5NaO4S and a molecular weight of 136.10 g/mol. Its IUPAC name is sodium;hydroxymethanesulfinate;hydrate.

Molecular Properties

Compound Namesodium;hydroxymethanesulfinate;hydrate
PubChem CID23712042
Molecular FormulaCH5NaO4S
Molecular Weight136.10 g/mol
Exact Mass135.98
IUPAC Namesodium;hydroxymethanesulfinate;hydrate
SMILESO.O=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na.H2O/c2-1-5(3)4;;/h2H,1H2,(H,3,4);;1H2/q;+1;/p-1
InChIKeyZKODLPLYXXUCHB-UHFFFAOYSA-M
XLogP-5.01
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-5.01
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;hydrate?
The IUPAC name of sodium;hydroxymethanesulfinate;hydrate (CID 23712042) is sodium;hydroxymethanesulfinate;hydrate.
What is the SMILES notation for sodium;hydroxymethanesulfinate;hydrate?
The canonical SMILES for sodium;hydroxymethanesulfinate;hydrate is O.O=S([O-])CO.[Na+].
What is the InChIKey of sodium;hydroxymethanesulfinate;hydrate?
The InChIKey is ZKODLPLYXXUCHB-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.Na.H2O/c2-1-5(3)4;;/h2H,1H2,(H,3,4);;1H2/q;+1;/p-1.
What are the key properties of sodium;hydroxymethanesulfinate;hydrate?
sodium;hydroxymethanesulfinate;hydrate has a molecular weight of 136.10 g/mol, XLogP of -5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydroxymethanesulfinate;hydrate is sourced from PubChem (CID 23712042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).