phenylmercury;phenylmercury(1+);sulfanide

C12H11Hg2S — CID 30115

IUPACphenylmercury;phenylmercury(1+);sulfanide
SMILES[Hg+]c1ccccc1.[Hg]c1ccccc1.[SH-]
InChIInChI=1S/2C6H5.2Hg.H2S/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;1H2/q;;;+1;/p-1
InChIKeyODLMGKBFVPMGFO-UHFFFAOYSA-M
MW588.47 g/mol
LogP1.45
Rot. Bonds

About phenylmercury;phenylmercury(1+);sulfanide

phenylmercury;phenylmercury(1+);sulfanide (PubChem CID 30115) has the molecular formula C12H11Hg2S and a molecular weight of 588.47 g/mol. Its IUPAC name is phenylmercury;phenylmercury(1+);sulfanide.

Molecular Properties

Compound Namephenylmercury;phenylmercury(1+);sulfanide
PubChem CID30115
Molecular FormulaC12H11Hg2S
Molecular Weight588.47 g/mol
Exact Mass591.00
IUPAC Namephenylmercury;phenylmercury(1+);sulfanide
SMILES[Hg+]c1ccccc1.[Hg]c1ccccc1.[SH-]
InChIInChI=1S/2C6H5.2Hg.H2S/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;1H2/q;;;+1;/p-1
InChIKeyODLMGKBFVPMGFO-UHFFFAOYSA-M
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze phenylmercury;phenylmercury(1+);sulfanide 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

nitric acid;bis(phenylmercury(1+));hydrate
CID 170920407
phenylmercury;urea
CID 70460318
azane;phenylmercury(1+);acetate
CID 90478884
methylmercury(1+);phenylmercury(1+);acetate;chloride
CID 67854613
palladium;ruthenium;triphenylphosphane
CID 174683160
phenol;tantalum
CID 19915613
hafnium diphenoxide
CID 175882420
triphenylphosphane
CID 139056248
decanoate;phenylmercury(1+)
CID 70457724
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of phenylmercury;phenylmercury(1+);sulfanide?
The IUPAC name of phenylmercury;phenylmercury(1+);sulfanide (CID 30115) is phenylmercury;phenylmercury(1+);sulfanide.
What is the SMILES notation for phenylmercury;phenylmercury(1+);sulfanide?
The canonical SMILES for phenylmercury;phenylmercury(1+);sulfanide is [Hg+]c1ccccc1.[Hg]c1ccccc1.[SH-].
What is the InChIKey of phenylmercury;phenylmercury(1+);sulfanide?
The InChIKey is ODLMGKBFVPMGFO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H5.2Hg.H2S/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;1H2/q;;;+1;/p-1.
What are the key properties of phenylmercury;phenylmercury(1+);sulfanide?
phenylmercury;phenylmercury(1+);sulfanide has a molecular weight of 588.47 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmercury;phenylmercury(1+);sulfanide is sourced from PubChem (CID 30115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).