isothiocyanatoethane;mercury

C3H5HgNS — CID 88726277

IUPACisothiocyanatoethane;mercury
SMILESCCN=C=S.[Hg]
InChIInChI=1S/C3H5NS.Hg/c1-2-4-3-5;/h2H2,1H3;
InChIKeyMJFBCWCLZRBSRY-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.11
Rot. Bonds1

About isothiocyanatoethane;mercury

isothiocyanatoethane;mercury (PubChem CID 88726277) has the molecular formula C3H5HgNS and a molecular weight of 287.74 g/mol. Its IUPAC name is isothiocyanatoethane;mercury.

Molecular Properties

Compound Nameisothiocyanatoethane;mercury
PubChem CID88726277
Molecular FormulaC3H5HgNS
Molecular Weight287.74 g/mol
Exact Mass288.98
IUPAC Nameisothiocyanatoethane;mercury
SMILESCCN=C=S.[Hg]
InChIInChI=1S/C3H5NS.Hg/c1-2-4-3-5;/h2H2,1H3;
InChIKeyMJFBCWCLZRBSRY-UHFFFAOYSA-N
XLogP1.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isothiocyanatoethane;mercury?
The IUPAC name of isothiocyanatoethane;mercury (CID 88726277) is isothiocyanatoethane;mercury.
What is the SMILES notation for isothiocyanatoethane;mercury?
The canonical SMILES for isothiocyanatoethane;mercury is CCN=C=S.[Hg].
What is the InChIKey of isothiocyanatoethane;mercury?
The InChIKey is MJFBCWCLZRBSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS.Hg/c1-2-4-3-5;/h2H2,1H3;.
What are the key properties of isothiocyanatoethane;mercury?
isothiocyanatoethane;mercury has a molecular weight of 287.74 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isothiocyanatoethane;mercury is sourced from PubChem (CID 88726277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).