sodium;hydride;prop-2-enoyloxymethanesulfonic acid

C4H7NaO5S — CID 173366392

IUPACsodium;hydride;prop-2-enoyloxymethanesulfonic acid
SMILESC=CC(=O)OCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O5S.Na.H/c1-2-4(5)9-3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1
InChIKeyZHRCYNAUJNOWMM-UHFFFAOYSA-N
MW190.15 g/mol
LogP-3.32
Rot. Bonds3

About sodium;hydride;prop-2-enoyloxymethanesulfonic acid

sodium;hydride;prop-2-enoyloxymethanesulfonic acid (PubChem CID 173366392) has the molecular formula C4H7NaO5S and a molecular weight of 190.15 g/mol. Its IUPAC name is sodium;hydride;prop-2-enoyloxymethanesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;prop-2-enoyloxymethanesulfonic acid
PubChem CID173366392
Molecular FormulaC4H7NaO5S
Molecular Weight190.15 g/mol
Exact Mass189.99
IUPAC Namesodium;hydride;prop-2-enoyloxymethanesulfonic acid
SMILESC=CC(=O)OCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O5S.Na.H/c1-2-4(5)9-3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1
InChIKeyZHRCYNAUJNOWMM-UHFFFAOYSA-N
XLogP-3.32
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
[ethyl(dimethyl)-λ4-sulfanyl]methyl prop-2-enoate
CID 166843002
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
(E)-4-oxo-4-(sulfomethoxy)but-2-enoic acid
CID 19101854
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
(prop-2-enoyloxymethylamino)methanesulfonic acid
CID 150539409
4-prop-2-enoyloxybutane-1-sulfonic acid
CID 19833800
sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
CID 175226552
methylaminooxysulfonylmethyl prop-2-enoate
CID 175005633
5-prop-2-enoyloxypentane-1-sulfonic acid
CID 87566091

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;prop-2-enoyloxymethanesulfonic acid?
The IUPAC name of sodium;hydride;prop-2-enoyloxymethanesulfonic acid (CID 173366392) is sodium;hydride;prop-2-enoyloxymethanesulfonic acid.
What is the SMILES notation for sodium;hydride;prop-2-enoyloxymethanesulfonic acid?
The canonical SMILES for sodium;hydride;prop-2-enoyloxymethanesulfonic acid is C=CC(=O)OCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;prop-2-enoyloxymethanesulfonic acid?
The InChIKey is ZHRCYNAUJNOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5S.Na.H/c1-2-4(5)9-3-10(6,7)8;;/h2H,1,3H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;prop-2-enoyloxymethanesulfonic acid?
sodium;hydride;prop-2-enoyloxymethanesulfonic acid has a molecular weight of 190.15 g/mol, XLogP of -3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;prop-2-enoyloxymethanesulfonic acid is sourced from PubChem (CID 173366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).