sodium;hydride;hydroxymethanesulfonic acid;dihydrate

CH9NaO6S — CID 173100137

IUPACsodium;hydride;hydroxymethanesulfonic acid;dihydrate
SMILESO.O.O=S(=O)(O)CO.[H-].[Na+]
InChIInChI=1S/CH4O4S.Na.2H2O.H/c2-1-6(3,4)5;;;;/h2H,1H2,(H,3,4,5);;2*1H2;/q;+1;;;-1
InChIKeyFHOSDYRFBPGADG-UHFFFAOYSA-N
MW172.13 g/mol
LogP-5.71
Rot. Bonds1

About sodium;hydride;hydroxymethanesulfonic acid;dihydrate

sodium;hydride;hydroxymethanesulfonic acid;dihydrate (PubChem CID 173100137) has the molecular formula CH9NaO6S and a molecular weight of 172.13 g/mol. Its IUPAC name is sodium;hydride;hydroxymethanesulfonic acid;dihydrate.

Molecular Properties

Compound Namesodium;hydride;hydroxymethanesulfonic acid;dihydrate
PubChem CID173100137
Molecular FormulaCH9NaO6S
Molecular Weight172.13 g/mol
Exact Mass172.00
IUPAC Namesodium;hydride;hydroxymethanesulfonic acid;dihydrate
SMILESO.O.O=S(=O)(O)CO.[H-].[Na+]
InChIInChI=1S/CH4O4S.Na.2H2O.H/c2-1-6(3,4)5;;;;/h2H,1H2,(H,3,4,5);;2*1H2;/q;+1;;;-1
InChIKeyFHOSDYRFBPGADG-UHFFFAOYSA-N
XLogP-5.71
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 5-5.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;hydroxymethanesulfonic acid;dihydrate?
The IUPAC name of sodium;hydride;hydroxymethanesulfonic acid;dihydrate (CID 173100137) is sodium;hydride;hydroxymethanesulfonic acid;dihydrate.
What is the SMILES notation for sodium;hydride;hydroxymethanesulfonic acid;dihydrate?
The canonical SMILES for sodium;hydride;hydroxymethanesulfonic acid;dihydrate is O.O.O=S(=O)(O)CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;hydroxymethanesulfonic acid;dihydrate?
The InChIKey is FHOSDYRFBPGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S.Na.2H2O.H/c2-1-6(3,4)5;;;;/h2H,1H2,(H,3,4,5);;2*1H2;/q;+1;;;-1.
What are the key properties of sodium;hydride;hydroxymethanesulfonic acid;dihydrate?
sodium;hydride;hydroxymethanesulfonic acid;dihydrate has a molecular weight of 172.13 g/mol, XLogP of -5.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;hydroxymethanesulfonic acid;dihydrate is sourced from PubChem (CID 173100137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).