sodium;hydroxymethanesulfinate;dihydrate

CH7NaO5S — CID 23666330

IUPACsodium;hydroxymethanesulfinate;dihydrate
SMILESO.O.O=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na.2H2O/c2-1-5(3)4;;;/h2H,1H2,(H,3,4);;2*1H2/q;+1;;/p-1
InChIKeyUCWBKJOCRGQBNW-UHFFFAOYSA-M
MW154.12 g/mol
LogP-5.83
Rot. Bonds1

About sodium;hydroxymethanesulfinate;dihydrate

sodium;hydroxymethanesulfinate;dihydrate (PubChem CID 23666330) has the molecular formula CH7NaO5S and a molecular weight of 154.12 g/mol. Its IUPAC name is sodium;hydroxymethanesulfinate;dihydrate.

Molecular Properties

Compound Namesodium;hydroxymethanesulfinate;dihydrate
PubChem CID23666330
Molecular FormulaCH7NaO5S
Molecular Weight154.12 g/mol
Exact Mass153.99
IUPAC Namesodium;hydroxymethanesulfinate;dihydrate
SMILESO.O.O=S([O-])CO.[Na+]
InChIInChI=1S/CH4O3S.Na.2H2O/c2-1-5(3)4;;;/h2H,1H2,(H,3,4);;2*1H2/q;+1;;/p-1
InChIKeyUCWBKJOCRGQBNW-UHFFFAOYSA-M
XLogP-5.83
TPSA123.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-5.83
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;dihydrate?
The IUPAC name of sodium;hydroxymethanesulfinate;dihydrate (CID 23666330) is sodium;hydroxymethanesulfinate;dihydrate.
What is the SMILES notation for sodium;hydroxymethanesulfinate;dihydrate?
The canonical SMILES for sodium;hydroxymethanesulfinate;dihydrate is O.O.O=S([O-])CO.[Na+].
What is the InChIKey of sodium;hydroxymethanesulfinate;dihydrate?
The InChIKey is UCWBKJOCRGQBNW-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.Na.2H2O/c2-1-5(3)4;;;/h2H,1H2,(H,3,4);;2*1H2/q;+1;;/p-1.
What are the key properties of sodium;hydroxymethanesulfinate;dihydrate?
sodium;hydroxymethanesulfinate;dihydrate has a molecular weight of 154.12 g/mol, XLogP of -5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydroxymethanesulfinate;dihydrate is sourced from PubChem (CID 23666330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).