magnesium;2-methylpropylsulfanylbenzene;bromide

C10H13BrMgS — CID 91655295

IUPACmagnesium;2-methylpropylsulfanylbenzene;bromide
SMILESCC(C)CSc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13S.BrH.Mg/c1-9(2)8-11-10-6-4-3-5-7-10;;/h3-4,6-7,9H,8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPQYWVMDYQRCELH-UHFFFAOYSA-M
MW269.49 g/mol
LogP-0.14
Rot. Bonds3

About magnesium;2-methylpropylsulfanylbenzene;bromide

magnesium;2-methylpropylsulfanylbenzene;bromide (PubChem CID 91655295) has the molecular formula C10H13BrMgS and a molecular weight of 269.49 g/mol. Its IUPAC name is magnesium;2-methylpropylsulfanylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;2-methylpropylsulfanylbenzene;bromide
PubChem CID91655295
Molecular FormulaC10H13BrMgS
Molecular Weight269.49 g/mol
Exact Mass267.98
IUPAC Namemagnesium;2-methylpropylsulfanylbenzene;bromide
SMILESCC(C)CSc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13S.BrH.Mg/c1-9(2)8-11-10-6-4-3-5-7-10;;/h3-4,6-7,9H,8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPQYWVMDYQRCELH-UHFFFAOYSA-M
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.49
LogP ≤ 5-0.14
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;2-methylpropylsulfanylbenzene;bromide?
The IUPAC name of magnesium;2-methylpropylsulfanylbenzene;bromide (CID 91655295) is magnesium;2-methylpropylsulfanylbenzene;bromide.
What is the SMILES notation for magnesium;2-methylpropylsulfanylbenzene;bromide?
The canonical SMILES for magnesium;2-methylpropylsulfanylbenzene;bromide is CC(C)CSc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methylpropylsulfanylbenzene;bromide?
The InChIKey is PQYWVMDYQRCELH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13S.BrH.Mg/c1-9(2)8-11-10-6-4-3-5-7-10;;/h3-4,6-7,9H,8H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methylpropylsulfanylbenzene;bromide?
magnesium;2-methylpropylsulfanylbenzene;bromide has a molecular weight of 269.49 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropylsulfanylbenzene;bromide is sourced from PubChem (CID 91655295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).