magnesium;1,10-dihydrophenothiazin-1-ide;chloride

C12H8ClMgNS — CID 88867948

IUPACmagnesium;1,10-dihydrophenothiazin-1-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8NS.ClH.Mg/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-5,7-8,13H;1H;/q-1;;+2/p-1
InChIKeyXYFGAWYWVMYFDA-UHFFFAOYSA-M
MW258.03 g/mol
LogP0.32
Rot. Bonds

About magnesium;1,10-dihydrophenothiazin-1-ide;chloride

magnesium;1,10-dihydrophenothiazin-1-ide;chloride (PubChem CID 88867948) has the molecular formula C12H8ClMgNS and a molecular weight of 258.03 g/mol. Its IUPAC name is magnesium;1,10-dihydrophenothiazin-1-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,10-dihydrophenothiazin-1-ide;chloride
PubChem CID88867948
Molecular FormulaC12H8ClMgNS
Molecular Weight258.03 g/mol
Exact Mass256.99
IUPAC Namemagnesium;1,10-dihydrophenothiazin-1-ide;chloride
SMILES[Cl-].[Mg+2].[c-]1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H8NS.ClH.Mg/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-5,7-8,13H;1H;/q-1;;+2/p-1
InChIKeyXYFGAWYWVMYFDA-UHFFFAOYSA-M
XLogP0.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;1,10-dihydrophenothiazin-1-ide;chloride?
The IUPAC name of magnesium;1,10-dihydrophenothiazin-1-ide;chloride (CID 88867948) is magnesium;1,10-dihydrophenothiazin-1-ide;chloride.
What is the SMILES notation for magnesium;1,10-dihydrophenothiazin-1-ide;chloride?
The canonical SMILES for magnesium;1,10-dihydrophenothiazin-1-ide;chloride is [Cl-].[Mg+2].[c-]1cccc2c1Nc1ccccc1S2.
What is the InChIKey of magnesium;1,10-dihydrophenothiazin-1-ide;chloride?
The InChIKey is XYFGAWYWVMYFDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8NS.ClH.Mg/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-5,7-8,13H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,10-dihydrophenothiazin-1-ide;chloride?
magnesium;1,10-dihydrophenothiazin-1-ide;chloride has a molecular weight of 258.03 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,10-dihydrophenothiazin-1-ide;chloride is sourced from PubChem (CID 88867948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).