magnesium;methylsulfanylbenzene;bromide

C7H7BrMgS — CID 10857186

IUPACmagnesium;methylsulfanylbenzene;bromide
SMILESCSc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRIHHDNYCTKOKAZ-UHFFFAOYSA-M
MW227.41 g/mol
LogP-1.17
Rot. Bonds1

About magnesium;methylsulfanylbenzene;bromide

magnesium;methylsulfanylbenzene;bromide (PubChem CID 10857186) has the molecular formula C7H7BrMgS and a molecular weight of 227.41 g/mol. Its IUPAC name is magnesium;methylsulfanylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;methylsulfanylbenzene;bromide
PubChem CID10857186
Molecular FormulaC7H7BrMgS
Molecular Weight227.41 g/mol
Exact Mass225.93
IUPAC Namemagnesium;methylsulfanylbenzene;bromide
SMILESCSc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyRIHHDNYCTKOKAZ-UHFFFAOYSA-M
XLogP-1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.41
LogP ≤ 5-1.17
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;methylsulfanylbenzene;bromide?
The IUPAC name of magnesium;methylsulfanylbenzene;bromide (CID 10857186) is magnesium;methylsulfanylbenzene;bromide.
What is the SMILES notation for magnesium;methylsulfanylbenzene;bromide?
The canonical SMILES for magnesium;methylsulfanylbenzene;bromide is CSc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;methylsulfanylbenzene;bromide?
The InChIKey is RIHHDNYCTKOKAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;methylsulfanylbenzene;bromide?
magnesium;methylsulfanylbenzene;bromide has a molecular weight of 227.41 g/mol, XLogP of -1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methylsulfanylbenzene;bromide is sourced from PubChem (CID 10857186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).