lithium bis(methylsulfonyl)methane

C3H7LiO4S2 — CID 14123340

IUPAClithium bis(methylsulfonyl)methane
SMILESCS(=O)(=O)[CH-]S(C)(=O)=O.[Li+]
InChIInChI=1S/C3H7O4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H,1-2H3;/q-1;+1
InChIKeyQAMAZNXCSOVTRX-UHFFFAOYSA-N
MW178.16 g/mol
LogP-3.80
Rot. Bonds2

About lithium bis(methylsulfonyl)methane

lithium bis(methylsulfonyl)methane (PubChem CID 14123340) has the molecular formula C3H7LiO4S2 and a molecular weight of 178.16 g/mol. Its IUPAC name is lithium bis(methylsulfonyl)methane.

Molecular Properties

Compound Namelithium bis(methylsulfonyl)methane
PubChem CID14123340
Molecular FormulaC3H7LiO4S2
Molecular Weight178.16 g/mol
Exact Mass177.99
IUPAC Namelithium bis(methylsulfonyl)methane
SMILESCS(=O)(=O)[CH-]S(C)(=O)=O.[Li+]
InChIInChI=1S/C3H7O4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H,1-2H3;/q-1;+1
InChIKeyQAMAZNXCSOVTRX-UHFFFAOYSA-N
XLogP-3.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium bis(methylsulfonyl)methane?
The IUPAC name of lithium bis(methylsulfonyl)methane (CID 14123340) is lithium bis(methylsulfonyl)methane.
What is the SMILES notation for lithium bis(methylsulfonyl)methane?
The canonical SMILES for lithium bis(methylsulfonyl)methane is CS(=O)(=O)[CH-]S(C)(=O)=O.[Li+].
What is the InChIKey of lithium bis(methylsulfonyl)methane?
The InChIKey is QAMAZNXCSOVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H,1-2H3;/q-1;+1.
What are the key properties of lithium bis(methylsulfonyl)methane?
lithium bis(methylsulfonyl)methane has a molecular weight of 178.16 g/mol, XLogP of -3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(methylsulfonyl)methane is sourced from PubChem (CID 14123340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).