magnesium;ethylsulfanylbenzene;bromide

C8H9BrMgS — CID 24722729

IUPACmagnesium;ethylsulfanylbenzene;bromide
SMILESCCSc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C8H9S.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHOOWGBAZZILQLQ-UHFFFAOYSA-M
MW241.44 g/mol
LogP-0.78
Rot. Bonds2

About magnesium;ethylsulfanylbenzene;bromide

magnesium;ethylsulfanylbenzene;bromide (PubChem CID 24722729) has the molecular formula C8H9BrMgS and a molecular weight of 241.44 g/mol. Its IUPAC name is magnesium;ethylsulfanylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;ethylsulfanylbenzene;bromide
PubChem CID24722729
Molecular FormulaC8H9BrMgS
Molecular Weight241.44 g/mol
Exact Mass239.95
IUPAC Namemagnesium;ethylsulfanylbenzene;bromide
SMILESCCSc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C8H9S.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHOOWGBAZZILQLQ-UHFFFAOYSA-M
XLogP-0.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 5-0.78
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;ethylsulfanylbenzene;bromide?
The IUPAC name of magnesium;ethylsulfanylbenzene;bromide (CID 24722729) is magnesium;ethylsulfanylbenzene;bromide.
What is the SMILES notation for magnesium;ethylsulfanylbenzene;bromide?
The canonical SMILES for magnesium;ethylsulfanylbenzene;bromide is CCSc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;ethylsulfanylbenzene;bromide?
The InChIKey is HOOWGBAZZILQLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9S.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;ethylsulfanylbenzene;bromide?
magnesium;ethylsulfanylbenzene;bromide has a molecular weight of 241.44 g/mol, XLogP of -0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethylsulfanylbenzene;bromide is sourced from PubChem (CID 24722729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).