magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide

C8H6BrF3MgS — CID 133144331

IUPACmagnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
SMILES[Br-].[CH2-]c1ccc(SC(F)(F)F)cc1.[Mg+2]
InChIInChI=1S/C8H6F3S.BrH.Mg/c1-6-2-4-7(5-3-6)12-8(9,10)11;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChIKeyLSQCXSXVPDARIK-UHFFFAOYSA-M
MW295.41 g/mol
LogP0.10
Rot. Bonds1

About magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide

magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide (PubChem CID 133144331) has the molecular formula C8H6BrF3MgS and a molecular weight of 295.41 g/mol. Its IUPAC name is magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide.

Molecular Properties

Compound Namemagnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
PubChem CID133144331
Molecular FormulaC8H6BrF3MgS
Molecular Weight295.41 g/mol
Exact Mass293.92
IUPAC Namemagnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
SMILES[Br-].[CH2-]c1ccc(SC(F)(F)F)cc1.[Mg+2]
InChIInChI=1S/C8H6F3S.BrH.Mg/c1-6-2-4-7(5-3-6)12-8(9,10)11;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChIKeyLSQCXSXVPDARIK-UHFFFAOYSA-M
XLogP0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.10
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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Related Compounds

4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
N-fluoro-4-(trifluoromethylsulfanyl)aniline
CID 141223381
magnesium;trifluoromethylsulfanylbenzene;chloride
CID 150426233
1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
CID 88702436
1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
CID 145093427
CID 87214702
CID 87214702
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987
1-propyl-4-(trifluoromethylsulfanyl)benzene
CID 70828854

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide?
The IUPAC name of magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide (CID 133144331) is magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide.
What is the SMILES notation for magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide?
The canonical SMILES for magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide is [Br-].[CH2-]c1ccc(SC(F)(F)F)cc1.[Mg+2].
What is the InChIKey of magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide?
The InChIKey is LSQCXSXVPDARIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3S.BrH.Mg/c1-6-2-4-7(5-3-6)12-8(9,10)11;;/h2-5H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide?
magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide has a molecular weight of 295.41 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide is sourced from PubChem (CID 133144331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).