magnesium;benzenethiolate;copper(1+);ethene;chloride

C8H8ClCuMgS — CID 134872708

IUPACmagnesium;benzenethiolate;copper(1+);ethene;chloride
SMILES[Cl-].[Cu+].[H][C-]=C.[Mg+2].[S-]c1ccccc1
InChIInChI=1S/C6H6S.C2H3.ClH.Cu.Mg/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1H,2H2;1H;;/q;-1;;+1;+2/p-2
InChIKeyADUCDVGERYCLHF-UHFFFAOYSA-L
MW259.52 g/mol
LogP-1.18
Rot. Bonds

About magnesium;benzenethiolate;copper(1+);ethene;chloride

magnesium;benzenethiolate;copper(1+);ethene;chloride (PubChem CID 134872708) has the molecular formula C8H8ClCuMgS and a molecular weight of 259.52 g/mol. Its IUPAC name is magnesium;benzenethiolate;copper(1+);ethene;chloride.

Molecular Properties

Compound Namemagnesium;benzenethiolate;copper(1+);ethene;chloride
PubChem CID134872708
Molecular FormulaC8H8ClCuMgS
Molecular Weight259.52 g/mol
Exact Mass257.92
IUPAC Namemagnesium;benzenethiolate;copper(1+);ethene;chloride
SMILES[Cl-].[Cu+].[H][C-]=C.[Mg+2].[S-]c1ccccc1
InChIInChI=1S/C6H6S.C2H3.ClH.Cu.Mg/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1H,2H2;1H;;/q;-1;;+1;+2/p-2
InChIKeyADUCDVGERYCLHF-UHFFFAOYSA-L
XLogP-1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.52
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;benzenethiolate;copper(1+);ethene;chloride?
The IUPAC name of magnesium;benzenethiolate;copper(1+);ethene;chloride (CID 134872708) is magnesium;benzenethiolate;copper(1+);ethene;chloride.
What is the SMILES notation for magnesium;benzenethiolate;copper(1+);ethene;chloride?
The canonical SMILES for magnesium;benzenethiolate;copper(1+);ethene;chloride is [Cl-].[Cu+].[H][C-]=C.[Mg+2].[S-]c1ccccc1.
What is the InChIKey of magnesium;benzenethiolate;copper(1+);ethene;chloride?
The InChIKey is ADUCDVGERYCLHF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6S.C2H3.ClH.Cu.Mg/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1H,2H2;1H;;/q;-1;;+1;+2/p-2.
What are the key properties of magnesium;benzenethiolate;copper(1+);ethene;chloride?
magnesium;benzenethiolate;copper(1+);ethene;chloride has a molecular weight of 259.52 g/mol, XLogP of -1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzenethiolate;copper(1+);ethene;chloride is sourced from PubChem (CID 134872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).