sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride

C2H8ClNaO4S — CID 173117052

IUPACsodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
SMILESCC(O)S(=O)(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C2H6O4S.ClH.Na.H/c1-2(3)7(4,5)6;;;/h2-3H,1H3,(H,4,5,6);1H;;/q;;+1;-1
InChIKeyZRZJRZMDXZIQOE-UHFFFAOYSA-N
MW186.59 g/mol
LogP-3.25
Rot. Bonds1

About sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride

sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride (PubChem CID 173117052) has the molecular formula C2H8ClNaO4S and a molecular weight of 186.59 g/mol. Its IUPAC name is sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride.

Molecular Properties

Compound Namesodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
PubChem CID173117052
Molecular FormulaC2H8ClNaO4S
Molecular Weight186.59 g/mol
Exact Mass185.97
IUPAC Namesodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
SMILESCC(O)S(=O)(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C2H6O4S.ClH.Na.H/c1-2(3)7(4,5)6;;;/h2-3H,1H3,(H,4,5,6);1H;;/q;;+1;-1
InChIKeyZRZJRZMDXZIQOE-UHFFFAOYSA-N
XLogP-3.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 5-3.25
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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sulfuric acid;tetramethylphosphanium
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azane;propan-2-ol;sulfuric acid
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sodium;copper;hydride;sulfuric acid;hydrochloride
CID 173109323
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
2-deuteriopropane-2-sulfonic acid
CID 172728862
disodium;hydride;sulfuric acid
CID 173031766
disodium;hydride;sulfuric acid
CID 173215682
1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
CID 174839844
1-fluoro-2-hydroxypropane-1-sulfonic acid
CID 149010434
1-chloro-2-hydroxypropane-1-sulfonic acid
CID 14348892
methanesulfonic acid;methanetriol
CID 174918384

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride?
The IUPAC name of sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride (CID 173117052) is sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride.
What is the SMILES notation for sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride?
The canonical SMILES for sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride is CC(O)S(=O)(=O)O.Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride?
The InChIKey is ZRZJRZMDXZIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.ClH.Na.H/c1-2(3)7(4,5)6;;;/h2-3H,1H3,(H,4,5,6);1H;;/q;;+1;-1.
What are the key properties of sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride?
sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride has a molecular weight of 186.59 g/mol, XLogP of -3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride is sourced from PubChem (CID 173117052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).