sodium methanesulfonoperoxoate

CH3NaO4S — CID 59815177

IUPACsodium methanesulfonoperoxoate
SMILESCS(=O)(=O)O[O-].[Na+]
InChIInChI=1S/CH4O4S.Na/c1-6(3,4)5-2;/h2H,1H3;/q;+1/p-1
InChIKeyAAZHAFHBOKJZBD-UHFFFAOYSA-M
MW134.09 g/mol
LogP-4.76
Rot. Bonds1

About sodium methanesulfonoperoxoate

sodium methanesulfonoperoxoate (PubChem CID 59815177) has the molecular formula CH3NaO4S and a molecular weight of 134.09 g/mol. Its IUPAC name is sodium methanesulfonoperoxoate.

Molecular Properties

Compound Namesodium methanesulfonoperoxoate
PubChem CID59815177
Molecular FormulaCH3NaO4S
Molecular Weight134.09 g/mol
Exact Mass133.96
IUPAC Namesodium methanesulfonoperoxoate
SMILESCS(=O)(=O)O[O-].[Na+]
InChIInChI=1S/CH4O4S.Na/c1-6(3,4)5-2;/h2H,1H3;/q;+1/p-1
InChIKeyAAZHAFHBOKJZBD-UHFFFAOYSA-M
XLogP-4.76
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-4.76
H-Bond Donors ≤ 50
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

sodium tert-butyl oxido sulfate
CID 141117245
methanesulfonoperoxoate;(4-methoxyphenyl)-dimethylsulfanium
CID 159375698
sodium;methanesulfonic acid;methanolate
CID 162335576
silyl methanesulfonate
CID 19038808
sodium;hydride;methoxy methanesulfonate
CID 173180257
amino methanesulfonate;hydrochloride
CID 87157730
disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane
CID 58911368
methanesulfonate;hydrobromide
CID 18469443
gold(3+);methanesulfonate
CID 140522406
cadmium(2+);methanesulfonate
CID 15443099
methanesulfonate;silver
CID 15907847
holmium(3+);methanesulfonate
CID 141092776

Frequently Asked Questions

What is the IUPAC name of sodium methanesulfonoperoxoate?
The IUPAC name of sodium methanesulfonoperoxoate (CID 59815177) is sodium methanesulfonoperoxoate.
What is the SMILES notation for sodium methanesulfonoperoxoate?
The canonical SMILES for sodium methanesulfonoperoxoate is CS(=O)(=O)O[O-].[Na+].
What is the InChIKey of sodium methanesulfonoperoxoate?
The InChIKey is AAZHAFHBOKJZBD-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O4S.Na/c1-6(3,4)5-2;/h2H,1H3;/q;+1/p-1.
What are the key properties of sodium methanesulfonoperoxoate?
sodium methanesulfonoperoxoate has a molecular weight of 134.09 g/mol, XLogP of -4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methanesulfonoperoxoate is sourced from PubChem (CID 59815177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).