sodium methoxysulfonylmethanesulfonate

C2H5NaO6S2 — CID 172738720

IUPACsodium methoxysulfonylmethanesulfonate
SMILESCOS(=O)(=O)CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H6O6S2.Na/c1-8-10(6,7)2-9(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyIUIJWPZCLYBOOV-UHFFFAOYSA-M
MW212.18 g/mol
LogP-4.53
Rot. Bonds3

About sodium methoxysulfonylmethanesulfonate

sodium methoxysulfonylmethanesulfonate (PubChem CID 172738720) has the molecular formula C2H5NaO6S2 and a molecular weight of 212.18 g/mol. Its IUPAC name is sodium methoxysulfonylmethanesulfonate.

Molecular Properties

Compound Namesodium methoxysulfonylmethanesulfonate
PubChem CID172738720
Molecular FormulaC2H5NaO6S2
Molecular Weight212.18 g/mol
Exact Mass211.94
IUPAC Namesodium methoxysulfonylmethanesulfonate
SMILESCOS(=O)(=O)CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H6O6S2.Na/c1-8-10(6,7)2-9(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyIUIJWPZCLYBOOV-UHFFFAOYSA-M
XLogP-4.53
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-4.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-chloroethoxysulfonylmethanesulfonate
CID 90661210
dialuminum;tris(methanedisulfonate)
CID 76967616
gold(1+);methyl sulfate
CID 11965801
sodium;ethanesulfonate;hydrate
CID 23680479
ethanesulfonate;ruthenium(3+)
CID 139771626
copper(1+);ethanesulfonate
CID 175365539
disodium;decane-1,10-disulfonate
CID 87519177
methyl 2-[difluoro(methyl)silyl]ethanesulfonate
CID 174136199
sodium 1-methoxytridecane-1-sulfonate
CID 162329111
ethyl(propyl)azanium;methyl sulfate
CID 139650778
sodium 9-methyldecane-1-sulfonate
CID 122480845
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365

Frequently Asked Questions

What is the IUPAC name of sodium methoxysulfonylmethanesulfonate?
The IUPAC name of sodium methoxysulfonylmethanesulfonate (CID 172738720) is sodium methoxysulfonylmethanesulfonate.
What is the SMILES notation for sodium methoxysulfonylmethanesulfonate?
The canonical SMILES for sodium methoxysulfonylmethanesulfonate is COS(=O)(=O)CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium methoxysulfonylmethanesulfonate?
The InChIKey is IUIJWPZCLYBOOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O6S2.Na/c1-8-10(6,7)2-9(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1.
What are the key properties of sodium methoxysulfonylmethanesulfonate?
sodium methoxysulfonylmethanesulfonate has a molecular weight of 212.18 g/mol, XLogP of -4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxysulfonylmethanesulfonate is sourced from PubChem (CID 172738720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).