magnesium;thiobenzaldehyde;bromide

C7H5BrMgS — CID 19909426

IUPACmagnesium;thiobenzaldehyde;bromide
SMILESS=Cc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H5S.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-4,6H;1H;/q-1;;+2/p-1
InChIKeyXRGZTXNWYCZSGR-UHFFFAOYSA-M
MW225.39 g/mol
LogP-1.54
Rot. Bonds1

About magnesium;thiobenzaldehyde;bromide

magnesium;thiobenzaldehyde;bromide (PubChem CID 19909426) has the molecular formula C7H5BrMgS and a molecular weight of 225.39 g/mol. Its IUPAC name is magnesium;thiobenzaldehyde;bromide.

Molecular Properties

Compound Namemagnesium;thiobenzaldehyde;bromide
PubChem CID19909426
Molecular FormulaC7H5BrMgS
Molecular Weight225.39 g/mol
Exact Mass223.91
IUPAC Namemagnesium;thiobenzaldehyde;bromide
SMILESS=Cc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H5S.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-4,6H;1H;/q-1;;+2/p-1
InChIKeyXRGZTXNWYCZSGR-UHFFFAOYSA-M
XLogP-1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.39
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;thiobenzaldehyde;bromide?
The IUPAC name of magnesium;thiobenzaldehyde;bromide (CID 19909426) is magnesium;thiobenzaldehyde;bromide.
What is the SMILES notation for magnesium;thiobenzaldehyde;bromide?
The canonical SMILES for magnesium;thiobenzaldehyde;bromide is S=Cc1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;thiobenzaldehyde;bromide?
The InChIKey is XRGZTXNWYCZSGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5S.BrH.Mg/c8-6-7-4-2-1-3-5-7;;/h1-4,6H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;thiobenzaldehyde;bromide?
magnesium;thiobenzaldehyde;bromide has a molecular weight of 225.39 g/mol, XLogP of -1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;thiobenzaldehyde;bromide is sourced from PubChem (CID 19909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).