sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid

C3H7NaO4S — CID 175556625

IUPACsodium;hydride;prop-1-ene-1-sulfonoperoxoic acid
SMILESCC=CS(=O)(=O)OO.[H-].[Na+]
InChIInChI=1S/C3H6O4S.Na.H/c1-2-3-8(5,6)7-4;;/h2-4H,1H3;;/q;+1;-1
InChIKeyUHIBXKZCUAHRHU-UHFFFAOYSA-N
MW162.14 g/mol
LogP-2.54
Rot. Bonds2

About sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid

sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid (PubChem CID 175556625) has the molecular formula C3H7NaO4S and a molecular weight of 162.14 g/mol. Its IUPAC name is sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid.

Molecular Properties

Compound Namesodium;hydride;prop-1-ene-1-sulfonoperoxoic acid
PubChem CID175556625
Molecular FormulaC3H7NaO4S
Molecular Weight162.14 g/mol
Exact Mass162.00
IUPAC Namesodium;hydride;prop-1-ene-1-sulfonoperoxoic acid
SMILESCC=CS(=O)(=O)OO.[H-].[Na+]
InChIInChI=1S/C3H6O4S.Na.H/c1-2-3-8(5,6)7-4;;/h2-4H,1H3;;/q;+1;-1
InChIKeyUHIBXKZCUAHRHU-UHFFFAOYSA-N
XLogP-2.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-prop-1-ene-1-sulfonic acid
CID 59687204
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
CID 173280993
lithium;but-2-ene;hydride
CID 173104793
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
CID 158046501
CID 174544732
CID 174544732
dimethyl ethene-1,2-disulfonate
CID 175077236
potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
hydroperoxysulfonylsulfonylmethane
CID 154629222
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
sodium;hydride;hydrogen peroxide;hydroxy sulfo sulfate
CID 173090604

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid?
The IUPAC name of sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid (CID 175556625) is sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid.
What is the SMILES notation for sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid?
The canonical SMILES for sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid is CC=CS(=O)(=O)OO.[H-].[Na+].
What is the InChIKey of sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid?
The InChIKey is UHIBXKZCUAHRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4S.Na.H/c1-2-3-8(5,6)7-4;;/h2-4H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid?
sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid has a molecular weight of 162.14 g/mol, XLogP of -2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid is sourced from PubChem (CID 175556625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).