bis(propan-2-ylsulfanyl)mercury

C6H14HgS2 — CID 16684261

IUPACbis(propan-2-ylsulfanyl)mercury
SMILESCC(C)S[Hg]SC(C)C
InChIInChI=1S/2C3H8S.Hg/c2*1-3(2)4;/h2*3-4H,1-2H3;/q;;+2/p-2
InChIKeyPUYATDJMZZGLPY-UHFFFAOYSA-L
MW350.90 g/mol
LogP3.18
Rot. Bonds4

About bis(propan-2-ylsulfanyl)mercury

bis(propan-2-ylsulfanyl)mercury (PubChem CID 16684261) has the molecular formula C6H14HgS2 and a molecular weight of 350.90 g/mol. Its IUPAC name is bis(propan-2-ylsulfanyl)mercury.

Molecular Properties

Compound Namebis(propan-2-ylsulfanyl)mercury
PubChem CID16684261
Molecular FormulaC6H14HgS2
Molecular Weight350.90 g/mol
Exact Mass352.02
IUPAC Namebis(propan-2-ylsulfanyl)mercury
SMILESCC(C)S[Hg]SC(C)C
InChIInChI=1S/2C3H8S.Hg/c2*1-3(2)4;/h2*3-4H,1-2H3;/q;;+2/p-2
InChIKeyPUYATDJMZZGLPY-UHFFFAOYSA-L
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(propan-2-ylsulfanyl)mercury?
The IUPAC name of bis(propan-2-ylsulfanyl)mercury (CID 16684261) is bis(propan-2-ylsulfanyl)mercury.
What is the SMILES notation for bis(propan-2-ylsulfanyl)mercury?
The canonical SMILES for bis(propan-2-ylsulfanyl)mercury is CC(C)S[Hg]SC(C)C.
What is the InChIKey of bis(propan-2-ylsulfanyl)mercury?
The InChIKey is PUYATDJMZZGLPY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8S.Hg/c2*1-3(2)4;/h2*3-4H,1-2H3;/q;;+2/p-2.
What are the key properties of bis(propan-2-ylsulfanyl)mercury?
bis(propan-2-ylsulfanyl)mercury has a molecular weight of 350.90 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-ylsulfanyl)mercury is sourced from PubChem (CID 16684261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).