magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide

C4H5BrMgN2O2S — CID 135082034

IUPACmagnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide
SMILESO=C([O-])N1CCNC1=S.[Br-].[Mg+2]
InChIInChI=1S/C4H6N2O2S.BrH.Mg/c7-4(8)6-2-1-5-3(6)9;;/h1-2H2,(H,5,9)(H,7,8);1H;/q;;+2/p-2
InChIKeyWRXXYOXOPFDJGB-UHFFFAOYSA-L
MW249.37 g/mol
LogP-4.86
Rot. Bonds

About magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide

magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide (PubChem CID 135082034) has the molecular formula C4H5BrMgN2O2S and a molecular weight of 249.37 g/mol. Its IUPAC name is magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide.

Molecular Properties

Compound Namemagnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide
PubChem CID135082034
Molecular FormulaC4H5BrMgN2O2S
Molecular Weight249.37 g/mol
Exact Mass247.91
IUPAC Namemagnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide
SMILESO=C([O-])N1CCNC1=S.[Br-].[Mg+2]
InChIInChI=1S/C4H6N2O2S.BrH.Mg/c7-4(8)6-2-1-5-3(6)9;;/h1-2H2,(H,5,9)(H,7,8);1H;/q;;+2/p-2
InChIKeyWRXXYOXOPFDJGB-UHFFFAOYSA-L
XLogP-4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Sulfanylideneimidazolidine-1-carbaldehyde
CID 55286756
1-Thiocarbamoyl-2-imidazolidinone
CID 3037080
Methyl 2-sulfanylideneimidazolidine-1-carboxylate
CID 12461186
N-methyl-2-oxoimidazolidine-1-carbothioamide
CID 13031747
N-ethyl-2-oxoimidazolidine-1-carbothioamide
CID 13031748
2-Sulfanylideneimidazolidine-1-carboxylic acid
CID 135082035
2-Sulfanylideneimidazolidine-1-carboxamide
CID 143652999
2-sulfanylideneimidazolidine-1-carbothioic S-acid
CID 145167108
N-Methyl-2-thioxoimidazolidine-1-carboxamide
CID 12745455

Frequently Asked Questions

What is the IUPAC name of magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide?
The IUPAC name of magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide (CID 135082034) is magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide.
What is the SMILES notation for magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide?
The canonical SMILES for magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide is O=C([O-])N1CCNC1=S.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide?
The InChIKey is WRXXYOXOPFDJGB-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6N2O2S.BrH.Mg/c7-4(8)6-2-1-5-3(6)9;;/h1-2H2,(H,5,9)(H,7,8);1H;/q;;+2/p-2.
What are the key properties of magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide?
magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide has a molecular weight of 249.37 g/mol, XLogP of -4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-sulfanylideneimidazolidine-1-carboxylate;bromide is sourced from PubChem (CID 135082034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).