diiodomercury;tribenzyl(iodo)-λ4-sulfane

C21H21HgI3S — CID 134927805

IUPACdiiodomercury;tribenzyl(iodo)-λ4-sulfane
SMILESIS(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.I[Hg]I
InChIInChI=1S/C21H21IS.Hg.2HI/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;;;/h1-15H,16-18H2;;2*1H/q;+2;;/p-2
InChIKeyZFPZJVORLUHLKD-UHFFFAOYSA-L
MW886.77 g/mol
LogP8.51
Rot. Bonds6

About diiodomercury;tribenzyl(iodo)-λ4-sulfane

diiodomercury;tribenzyl(iodo)-λ4-sulfane (PubChem CID 134927805) has the molecular formula C21H21HgI3S and a molecular weight of 886.77 g/mol. Its IUPAC name is diiodomercury;tribenzyl(iodo)-λ4-sulfane.

Molecular Properties

Compound Namediiodomercury;tribenzyl(iodo)-λ4-sulfane
PubChem CID134927805
Molecular FormulaC21H21HgI3S
Molecular Weight886.77 g/mol
Exact Mass887.82
IUPAC Namediiodomercury;tribenzyl(iodo)-λ4-sulfane
SMILESIS(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.I[Hg]I
InChIInChI=1S/C21H21IS.Hg.2HI/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;;;/h1-15H,16-18H2;;2*1H/q;+2;;/p-2
InChIKeyZFPZJVORLUHLKD-UHFFFAOYSA-L
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.77
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diiodomercury;tribenzyl(iodo)-λ4-sulfane?
The IUPAC name of diiodomercury;tribenzyl(iodo)-λ4-sulfane (CID 134927805) is diiodomercury;tribenzyl(iodo)-λ4-sulfane.
What is the SMILES notation for diiodomercury;tribenzyl(iodo)-λ4-sulfane?
The canonical SMILES for diiodomercury;tribenzyl(iodo)-λ4-sulfane is IS(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.I[Hg]I.
What is the InChIKey of diiodomercury;tribenzyl(iodo)-λ4-sulfane?
The InChIKey is ZFPZJVORLUHLKD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21IS.Hg.2HI/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;;;/h1-15H,16-18H2;;2*1H/q;+2;;/p-2.
What are the key properties of diiodomercury;tribenzyl(iodo)-λ4-sulfane?
diiodomercury;tribenzyl(iodo)-λ4-sulfane has a molecular weight of 886.77 g/mol, XLogP of 8.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomercury;tribenzyl(iodo)-λ4-sulfane is sourced from PubChem (CID 134927805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).