magnesium;3-phenyl-1,2-thiazole;bromide

C9H6BrMgNS — CID 88839698

IUPACmagnesium;3-phenyl-1,2-thiazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2ccsn2)cc1
InChIInChI=1S/C9H6NS.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1
InChIKeyGEMGDHOVTJGIIN-UHFFFAOYSA-M
MW264.43 g/mol
LogP-0.77
Rot. Bonds1

About magnesium;3-phenyl-1,2-thiazole;bromide

magnesium;3-phenyl-1,2-thiazole;bromide (PubChem CID 88839698) has the molecular formula C9H6BrMgNS and a molecular weight of 264.43 g/mol. Its IUPAC name is magnesium;3-phenyl-1,2-thiazole;bromide.

Molecular Properties

Compound Namemagnesium;3-phenyl-1,2-thiazole;bromide
PubChem CID88839698
Molecular FormulaC9H6BrMgNS
Molecular Weight264.43 g/mol
Exact Mass262.93
IUPAC Namemagnesium;3-phenyl-1,2-thiazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2ccsn2)cc1
InChIInChI=1S/C9H6NS.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1
InChIKeyGEMGDHOVTJGIIN-UHFFFAOYSA-M
XLogP-0.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-1,2-thiazole;bromide?
The IUPAC name of magnesium;3-phenyl-1,2-thiazole;bromide (CID 88839698) is magnesium;3-phenyl-1,2-thiazole;bromide.
What is the SMILES notation for magnesium;3-phenyl-1,2-thiazole;bromide?
The canonical SMILES for magnesium;3-phenyl-1,2-thiazole;bromide is [Br-].[Mg+2].[c-]1ccc(-c2ccsn2)cc1.
What is the InChIKey of magnesium;3-phenyl-1,2-thiazole;bromide?
The InChIKey is GEMGDHOVTJGIIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6NS.BrH.Mg/c1-2-4-8(5-3-1)9-6-7-11-10-9;;/h2-7H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-phenyl-1,2-thiazole;bromide?
magnesium;3-phenyl-1,2-thiazole;bromide has a molecular weight of 264.43 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-phenyl-1,2-thiazole;bromide is sourced from PubChem (CID 88839698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).