magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride

C7H4ClF3MgS — CID 175914743

IUPACmagnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride
SMILES[2H]c1[c-]ccc(SC(F)(F)F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1/i2D;;
InChIKeyGWKUBESAEJCGJI-AIIYCECHSA-M
MW237.93 g/mol
LogP-0.28
Rot. Bonds1

About magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride

magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride (PubChem CID 175914743) has the molecular formula C7H4ClF3MgS and a molecular weight of 237.93 g/mol. Its IUPAC name is magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride.

Molecular Properties

Compound Namemagnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride
PubChem CID175914743
Molecular FormulaC7H4ClF3MgS
Molecular Weight237.93 g/mol
Exact Mass236.96
IUPAC Namemagnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride
SMILES[2H]c1[c-]ccc(SC(F)(F)F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1/i2D;;
InChIKeyGWKUBESAEJCGJI-AIIYCECHSA-M
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.93
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride?
The IUPAC name of magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride (CID 175914743) is magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride.
What is the SMILES notation for magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride?
The canonical SMILES for magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride is [2H]c1[c-]ccc(SC(F)(F)F)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride?
The InChIKey is GWKUBESAEJCGJI-AIIYCECHSA-M. The full InChI is InChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1/i2D;;.
What are the key properties of magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride?
magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride has a molecular weight of 237.93 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-deuterio-3-(trifluoromethylsulfanyl)benzene-6-ide;chloride is sourced from PubChem (CID 175914743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).