magnesium;dipyridin-2-ylmethanethione;sulfate

C11H8MgN2O4S2 — CID 175513752

IUPACmagnesium;dipyridin-2-ylmethanethione;sulfate
SMILESO=S(=O)([O-])[O-].S=C(c1ccccn1)c1ccccn1.[Mg+2]
InChIInChI=1S/C11H8N2S.Mg.H2O4S/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyUPRAZTSMLUZFGZ-UHFFFAOYSA-L
MW320.63 g/mol
LogP0.52
Rot. Bonds2

About magnesium;dipyridin-2-ylmethanethione;sulfate

magnesium;dipyridin-2-ylmethanethione;sulfate (PubChem CID 175513752) has the molecular formula C11H8MgN2O4S2 and a molecular weight of 320.63 g/mol. Its IUPAC name is magnesium;dipyridin-2-ylmethanethione;sulfate.

Molecular Properties

Compound Namemagnesium;dipyridin-2-ylmethanethione;sulfate
PubChem CID175513752
Molecular FormulaC11H8MgN2O4S2
Molecular Weight320.63 g/mol
Exact Mass319.98
IUPAC Namemagnesium;dipyridin-2-ylmethanethione;sulfate
SMILESO=S(=O)([O-])[O-].S=C(c1ccccn1)c1ccccn1.[Mg+2]
InChIInChI=1S/C11H8N2S.Mg.H2O4S/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyUPRAZTSMLUZFGZ-UHFFFAOYSA-L
XLogP0.52
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylethanethione
CID 89010255
europium(3+);pyridine-2-carboxylate
CID 172810679
pyridine-2-carbothioamide;hydrochloride
CID 57440257
lithium pyridine-2-carbonylazanide
CID 87752623
gadolinium;pyridine-2-carboxylic acid
CID 175231422
hafnium;pyridine-2-carboxylic acid
CID 175130925
phosphanyl(pyridin-2-yl)methanone
CID 89397457
CID 175246691
CID 175246691
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
pyridine-2-carbothioic S-acid
CID 158789814
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of magnesium;dipyridin-2-ylmethanethione;sulfate?
The IUPAC name of magnesium;dipyridin-2-ylmethanethione;sulfate (CID 175513752) is magnesium;dipyridin-2-ylmethanethione;sulfate.
What is the SMILES notation for magnesium;dipyridin-2-ylmethanethione;sulfate?
The canonical SMILES for magnesium;dipyridin-2-ylmethanethione;sulfate is O=S(=O)([O-])[O-].S=C(c1ccccn1)c1ccccn1.[Mg+2].
What is the InChIKey of magnesium;dipyridin-2-ylmethanethione;sulfate?
The InChIKey is UPRAZTSMLUZFGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H8N2S.Mg.H2O4S/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;dipyridin-2-ylmethanethione;sulfate?
magnesium;dipyridin-2-ylmethanethione;sulfate has a molecular weight of 320.63 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipyridin-2-ylmethanethione;sulfate is sourced from PubChem (CID 175513752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).