sodium methylsulfonylmethanesulfinate

C2H5NaO4S2 — CID 130858353

IUPACsodium methylsulfonylmethanesulfinate
SMILESCS(=O)(=O)CS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O4S2.Na/c1-8(5,6)2-7(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyYOTIASMSTOWNJH-UHFFFAOYSA-M
MW180.18 g/mol
LogP-4.13
Rot. Bonds2

About sodium methylsulfonylmethanesulfinate

sodium methylsulfonylmethanesulfinate (PubChem CID 130858353) has the molecular formula C2H5NaO4S2 and a molecular weight of 180.18 g/mol. Its IUPAC name is sodium methylsulfonylmethanesulfinate.

Molecular Properties

Compound Namesodium methylsulfonylmethanesulfinate
PubChem CID130858353
Molecular FormulaC2H5NaO4S2
Molecular Weight180.18 g/mol
Exact Mass179.95
IUPAC Namesodium methylsulfonylmethanesulfinate
SMILESCS(=O)(=O)CS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O4S2.Na/c1-8(5,6)2-7(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyYOTIASMSTOWNJH-UHFFFAOYSA-M
XLogP-4.13
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-4.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(methylsulfonyl)methane
CID 240586
Methanesulfonylmethanesulfonyl chloride
CID 556269
Trimethylsulfonylmethane
CID 144231
Methylsulfonyl ketone
CID 129798505
Methylsulfonylmethanesulfinic acid
CID 22045949
Fluoro-bis(methylsulfonyl)methane
CID 135295866
Sodium bis(methylsulfonyl)methane
CID 270318
Bis(methylsulfonyl)methylsulfanylmethane
CID 313486
Methylsulfonyl(methylsulfonylmethylsulfanyl)methane
CID 399849
(Methanesulfonyl)[(methanesulfonyl)methanesulfonyl]methane
CID 12512295
CID 13636051
CID 13636051
Lithium bis(methylsulfonyl)methane
CID 14123340

Frequently Asked Questions

What is the IUPAC name of sodium methylsulfonylmethanesulfinate?
The IUPAC name of sodium methylsulfonylmethanesulfinate (CID 130858353) is sodium methylsulfonylmethanesulfinate.
What is the SMILES notation for sodium methylsulfonylmethanesulfinate?
The canonical SMILES for sodium methylsulfonylmethanesulfinate is CS(=O)(=O)CS(=O)[O-].[Na+].
What is the InChIKey of sodium methylsulfonylmethanesulfinate?
The InChIKey is YOTIASMSTOWNJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S2.Na/c1-8(5,6)2-7(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium methylsulfonylmethanesulfinate?
sodium methylsulfonylmethanesulfinate has a molecular weight of 180.18 g/mol, XLogP of -4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methylsulfonylmethanesulfinate is sourced from PubChem (CID 130858353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).