mercury(2+);pentane-1-thiolate;iodide

C5H11HgIS — CID 101041651

IUPACmercury(2+);pentane-1-thiolate;iodide
SMILESCCCCC[S-].[Hg+2].[I-]
InChIInChI=1S/C5H12S.Hg.HI/c1-2-3-4-5-6;;/h6H,2-5H2,1H3;;1H/q;+2;/p-2
InChIKeyYZVBOBNFFNGNPC-UHFFFAOYSA-L
MW430.70 g/mol
LogP-1.27
Rot. Bonds3

About mercury(2+);pentane-1-thiolate;iodide

mercury(2+);pentane-1-thiolate;iodide (PubChem CID 101041651) has the molecular formula C5H11HgIS and a molecular weight of 430.70 g/mol. Its IUPAC name is mercury(2+);pentane-1-thiolate;iodide.

Molecular Properties

Compound Namemercury(2+);pentane-1-thiolate;iodide
PubChem CID101041651
Molecular FormulaC5H11HgIS
Molecular Weight430.70 g/mol
Exact Mass431.93
IUPAC Namemercury(2+);pentane-1-thiolate;iodide
SMILESCCCCC[S-].[Hg+2].[I-]
InChIInChI=1S/C5H12S.Hg.HI/c1-2-3-4-5-6;;/h6H,2-5H2,1H3;;1H/q;+2;/p-2
InChIKeyYZVBOBNFFNGNPC-UHFFFAOYSA-L
XLogP-1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze mercury(2+);pentane-1-thiolate;iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
CID 22348633
CID 173438464
CID 173438464
hexane-1-thiolate;titanium(4+)
CID 172788894
potassium octane-1-thiolate
CID 23682502
gold(1+);tetradecane-1-thiolate
CID 118692951
manganese(2+);bis(octane-1-thiolate)
CID 88657665
CID 134927802
CID 134927802
bis(decane-1-thiolate);dimethyltin(2+)
CID 21453567
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277

Frequently Asked Questions

What is the IUPAC name of mercury(2+);pentane-1-thiolate;iodide?
The IUPAC name of mercury(2+);pentane-1-thiolate;iodide (CID 101041651) is mercury(2+);pentane-1-thiolate;iodide.
What is the SMILES notation for mercury(2+);pentane-1-thiolate;iodide?
The canonical SMILES for mercury(2+);pentane-1-thiolate;iodide is CCCCC[S-].[Hg+2].[I-].
What is the InChIKey of mercury(2+);pentane-1-thiolate;iodide?
The InChIKey is YZVBOBNFFNGNPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12S.Hg.HI/c1-2-3-4-5-6;;/h6H,2-5H2,1H3;;1H/q;+2;/p-2.
What are the key properties of mercury(2+);pentane-1-thiolate;iodide?
mercury(2+);pentane-1-thiolate;iodide has a molecular weight of 430.70 g/mol, XLogP of -1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);pentane-1-thiolate;iodide is sourced from PubChem (CID 101041651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).