mercury;bis(O-methyl carbamothioate)

C4H10HgN2O2S2 — CID 87439278

IUPACmercury;bis(O-methyl carbamothioate)
SMILESCOC(N)=S.COC(N)=S.[Hg]
InChIInChI=1S/2C2H5NOS.Hg/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);
InChIKeyUNZBCSPQHMRMEG-UHFFFAOYSA-N
MW382.86 g/mol
LogP-0.25
Rot. Bonds

About mercury;bis(O-methyl carbamothioate)

mercury;bis(O-methyl carbamothioate) (PubChem CID 87439278) has the molecular formula C4H10HgN2O2S2 and a molecular weight of 382.86 g/mol. Its IUPAC name is mercury;bis(O-methyl carbamothioate).

Molecular Properties

Compound Namemercury;bis(O-methyl carbamothioate)
PubChem CID87439278
Molecular FormulaC4H10HgN2O2S2
Molecular Weight382.86 g/mol
Exact Mass383.99
IUPAC Namemercury;bis(O-methyl carbamothioate)
SMILESCOC(N)=S.COC(N)=S.[Hg]
InChIInChI=1S/2C2H5NOS.Hg/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);
InChIKeyUNZBCSPQHMRMEG-UHFFFAOYSA-N
XLogP-0.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of mercury;bis(O-methyl carbamothioate)?
The IUPAC name of mercury;bis(O-methyl carbamothioate) (CID 87439278) is mercury;bis(O-methyl carbamothioate).
What is the SMILES notation for mercury;bis(O-methyl carbamothioate)?
The canonical SMILES for mercury;bis(O-methyl carbamothioate) is COC(N)=S.COC(N)=S.[Hg].
What is the InChIKey of mercury;bis(O-methyl carbamothioate)?
The InChIKey is UNZBCSPQHMRMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.Hg/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);.
What are the key properties of mercury;bis(O-methyl carbamothioate)?
mercury;bis(O-methyl carbamothioate) has a molecular weight of 382.86 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;bis(O-methyl carbamothioate) is sourced from PubChem (CID 87439278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).