magnesium;3-methyl-2H-thiophen-2-ide;bromide

C5H5BrMgS — CID 13404730

IUPACmagnesium;3-methyl-2H-thiophen-2-ide;bromide
SMILESCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C5H5S.BrH.Mg/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyBEHJYNUUBPNZRX-UHFFFAOYSA-M
MW201.37 g/mol
LogP-1.52
Rot. Bonds

About magnesium;3-methyl-2H-thiophen-2-ide;bromide

magnesium;3-methyl-2H-thiophen-2-ide;bromide (PubChem CID 13404730) has the molecular formula C5H5BrMgS and a molecular weight of 201.37 g/mol. Its IUPAC name is magnesium;3-methyl-2H-thiophen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3-methyl-2H-thiophen-2-ide;bromide
PubChem CID13404730
Molecular FormulaC5H5BrMgS
Molecular Weight201.37 g/mol
Exact Mass199.91
IUPAC Namemagnesium;3-methyl-2H-thiophen-2-ide;bromide
SMILESCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C5H5S.BrH.Mg/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyBEHJYNUUBPNZRX-UHFFFAOYSA-M
XLogP-1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.37
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 magnesium;3-methyl-2H-thiophen-2-ide;bromide?
The IUPAC name of magnesium;3-methyl-2H-thiophen-2-ide;bromide (CID 13404730) is magnesium;3-methyl-2H-thiophen-2-ide;bromide.
What is the SMILES notation for magnesium;3-methyl-2H-thiophen-2-ide;bromide?
The canonical SMILES for magnesium;3-methyl-2H-thiophen-2-ide;bromide is Cc1[c-]scc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methyl-2H-thiophen-2-ide;bromide?
The InChIKey is BEHJYNUUBPNZRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5S.BrH.Mg/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-methyl-2H-thiophen-2-ide;bromide?
magnesium;3-methyl-2H-thiophen-2-ide;bromide has a molecular weight of 201.37 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methyl-2H-thiophen-2-ide;bromide is sourced from PubChem (CID 13404730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).