sodium;hydroxy sulfate;methane;dihydrate

CH9NaO7S — CID 173150022

IUPACsodium;hydroxy sulfate;methane;dihydrate
SMILESC.O.O.O=S(=O)([O-])OO.[Na+]
InChIInChI=1S/CH4.Na.H2O5S.2H2O/c;;1-5-6(2,3)4;;/h1H4;;1H,(H,2,3,4);2*1H2/q;+1;;;/p-1
InChIKeyRQMNQVZCYBBIOQ-UHFFFAOYSA-M
MW188.13 g/mol
LogP-5.07
Rot. Bonds1

About sodium;hydroxy sulfate;methane;dihydrate

sodium;hydroxy sulfate;methane;dihydrate (PubChem CID 173150022) has the molecular formula CH9NaO7S and a molecular weight of 188.13 g/mol. Its IUPAC name is sodium;hydroxy sulfate;methane;dihydrate.

Molecular Properties

Compound Namesodium;hydroxy sulfate;methane;dihydrate
PubChem CID173150022
Molecular FormulaCH9NaO7S
Molecular Weight188.13 g/mol
Exact Mass188.00
IUPAC Namesodium;hydroxy sulfate;methane;dihydrate
SMILESC.O.O.O=S(=O)([O-])OO.[Na+]
InChIInChI=1S/CH4.Na.H2O5S.2H2O/c;;1-5-6(2,3)4;;/h1H4;;1H,(H,2,3,4);2*1H2/q;+1;;;/p-1
InChIKeyRQMNQVZCYBBIOQ-UHFFFAOYSA-M
XLogP-5.07
TPSA149.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-5.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
potassium hydroxy sulfate
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cesium hydroxy sulfate
CID 161129276
copper;magnesium;hydroxy sulfate
CID 175067700
aluminum;hydroxy sulfate;phosphoric acid
CID 173126814
disodium;disulfate;hydrate
CID 20976610
sodium;sulfate;heptahydrate
CID 18522796
disodium;methanol;sulfate;dihydrate
CID 157446886
sodium;vanadium;trisulfate;hydrate
CID 158094000
CID 57377209
CID 57377209
aluminum;sodium;sulfonato sulfate
CID 159964180
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435

Frequently Asked Questions

What is the IUPAC name of sodium;hydroxy sulfate;methane;dihydrate?
The IUPAC name of sodium;hydroxy sulfate;methane;dihydrate (CID 173150022) is sodium;hydroxy sulfate;methane;dihydrate.
What is the SMILES notation for sodium;hydroxy sulfate;methane;dihydrate?
The canonical SMILES for sodium;hydroxy sulfate;methane;dihydrate is C.O.O.O=S(=O)([O-])OO.[Na+].
What is the InChIKey of sodium;hydroxy sulfate;methane;dihydrate?
The InChIKey is RQMNQVZCYBBIOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4.Na.H2O5S.2H2O/c;;1-5-6(2,3)4;;/h1H4;;1H,(H,2,3,4);2*1H2/q;+1;;;/p-1.
What are the key properties of sodium;hydroxy sulfate;methane;dihydrate?
sodium;hydroxy sulfate;methane;dihydrate has a molecular weight of 188.13 g/mol, XLogP of -5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydroxy sulfate;methane;dihydrate is sourced from PubChem (CID 173150022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).