magnesium;methanesulfinate;bromide

CH3BrMgO2S — CID 172757399

IUPACmagnesium;methanesulfinate;bromide
SMILESCS(=O)[O-].[Br-].[Mg+2]
InChIInChI=1S/CH4O2S.BrH.Mg/c1-4(2)3;;/h1H3,(H,2,3);1H;/q;;+2/p-2
InChIKeyWQHKXPFHSJOWTP-UHFFFAOYSA-L
MW183.31 g/mol
LogP-3.88
Rot. Bonds

About magnesium;methanesulfinate;bromide

magnesium;methanesulfinate;bromide (PubChem CID 172757399) has the molecular formula CH3BrMgO2S and a molecular weight of 183.31 g/mol. Its IUPAC name is magnesium;methanesulfinate;bromide.

Molecular Properties

Compound Namemagnesium;methanesulfinate;bromide
PubChem CID172757399
Molecular FormulaCH3BrMgO2S
Molecular Weight183.31 g/mol
Exact Mass181.89
IUPAC Namemagnesium;methanesulfinate;bromide
SMILESCS(=O)[O-].[Br-].[Mg+2]
InChIInChI=1S/CH4O2S.BrH.Mg/c1-4(2)3;;/h1H3,(H,2,3);1H;/q;;+2/p-2
InChIKeyWQHKXPFHSJOWTP-UHFFFAOYSA-L
XLogP-3.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.31
LogP ≤ 5-3.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;methanesulfinate;bromide?
The IUPAC name of magnesium;methanesulfinate;bromide (CID 172757399) is magnesium;methanesulfinate;bromide.
What is the SMILES notation for magnesium;methanesulfinate;bromide?
The canonical SMILES for magnesium;methanesulfinate;bromide is CS(=O)[O-].[Br-].[Mg+2].
What is the InChIKey of magnesium;methanesulfinate;bromide?
The InChIKey is WQHKXPFHSJOWTP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O2S.BrH.Mg/c1-4(2)3;;/h1H3,(H,2,3);1H;/q;;+2/p-2.
What are the key properties of magnesium;methanesulfinate;bromide?
magnesium;methanesulfinate;bromide has a molecular weight of 183.31 g/mol, XLogP of -3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methanesulfinate;bromide is sourced from PubChem (CID 172757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).