magnesium;dithiocyanate;tetrahydrate

C2H8MgN2O4S2 — CID 139685263

IUPACmagnesium;dithiocyanate;tetrahydrate
SMILESN#C[S-].N#C[S-].O.O.O.O.[Mg+2]
InChIInChI=1S/2CHNS.Mg.4H2O/c2*2-1-3;;;;;/h2*3H;;4*1H2/q;;+2;;;;/p-2
InChIKeyAPSHZKGMYIVLHW-UHFFFAOYSA-L
MW212.53 g/mol
LogP-3.65
Rot. Bonds

About magnesium;dithiocyanate;tetrahydrate

magnesium;dithiocyanate;tetrahydrate (PubChem CID 139685263) has the molecular formula C2H8MgN2O4S2 and a molecular weight of 212.53 g/mol. Its IUPAC name is magnesium;dithiocyanate;tetrahydrate.

Molecular Properties

Compound Namemagnesium;dithiocyanate;tetrahydrate
PubChem CID139685263
Molecular FormulaC2H8MgN2O4S2
Molecular Weight212.53 g/mol
Exact Mass211.98
IUPAC Namemagnesium;dithiocyanate;tetrahydrate
SMILESN#C[S-].N#C[S-].O.O.O.O.[Mg+2]
InChIInChI=1S/2CHNS.Mg.4H2O/c2*2-1-3;;;;;/h2*3H;;4*1H2/q;;+2;;;;/p-2
InChIKeyAPSHZKGMYIVLHW-UHFFFAOYSA-L
XLogP-3.65
TPSA173.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.53
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;dithiocyanate;tetrahydrate?
The IUPAC name of magnesium;dithiocyanate;tetrahydrate (CID 139685263) is magnesium;dithiocyanate;tetrahydrate.
What is the SMILES notation for magnesium;dithiocyanate;tetrahydrate?
The canonical SMILES for magnesium;dithiocyanate;tetrahydrate is N#C[S-].N#C[S-].O.O.O.O.[Mg+2].
What is the InChIKey of magnesium;dithiocyanate;tetrahydrate?
The InChIKey is APSHZKGMYIVLHW-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHNS.Mg.4H2O/c2*2-1-3;;;;;/h2*3H;;4*1H2/q;;+2;;;;/p-2.
What are the key properties of magnesium;dithiocyanate;tetrahydrate?
magnesium;dithiocyanate;tetrahydrate has a molecular weight of 212.53 g/mol, XLogP of -3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dithiocyanate;tetrahydrate is sourced from PubChem (CID 139685263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).