chloromercury(1+);cyclopentanethiolate

C5H9ClHgS — CID 6102072

IUPACchloromercury(1+);cyclopentanethiolate
SMILESCl[Hg+].[S-]C1CCCC1
InChIInChI=1S/C5H10S.ClH.Hg/c6-5-3-1-2-4-5;;/h5-6H,1-4H2;1H;/q;;+2/p-2
InChIKeyZEWXGRIKMMEACK-UHFFFAOYSA-L
MW337.24 g/mol
LogP2.16
Rot. Bonds

About chloromercury(1+);cyclopentanethiolate

chloromercury(1+);cyclopentanethiolate (PubChem CID 6102072) has the molecular formula C5H9ClHgS and a molecular weight of 337.24 g/mol. Its IUPAC name is chloromercury(1+);cyclopentanethiolate.

Molecular Properties

Compound Namechloromercury(1+);cyclopentanethiolate
PubChem CID6102072
Molecular FormulaC5H9ClHgS
Molecular Weight337.24 g/mol
Exact Mass337.98
IUPAC Namechloromercury(1+);cyclopentanethiolate
SMILESCl[Hg+].[S-]C1CCCC1
InChIInChI=1S/C5H10S.ClH.Hg/c6-5-3-1-2-4-5;;/h5-6H,1-4H2;1H;/q;;+2/p-2
InChIKeyZEWXGRIKMMEACK-UHFFFAOYSA-L
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 52.16
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'}

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Related Compounds

(3-Fluorocyclopentyl) thiohypochlorite
CID 126731502
Chloro(cyclopentylsulfanyl)mercury
CID 419356
Cyclopentyl thiohypochlorite
CID 22755049
Cyclopentylsulfanium chloride
CID 157962155
Trichloro(cyclopentylsulfanyl)stannane
CID 176593270

Frequently Asked Questions

What is the IUPAC name of chloromercury(1+);cyclopentanethiolate?
The IUPAC name of chloromercury(1+);cyclopentanethiolate (CID 6102072) is chloromercury(1+);cyclopentanethiolate.
What is the SMILES notation for chloromercury(1+);cyclopentanethiolate?
The canonical SMILES for chloromercury(1+);cyclopentanethiolate is Cl[Hg+].[S-]C1CCCC1.
What is the InChIKey of chloromercury(1+);cyclopentanethiolate?
The InChIKey is ZEWXGRIKMMEACK-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10S.ClH.Hg/c6-5-3-1-2-4-5;;/h5-6H,1-4H2;1H;/q;;+2/p-2.
What are the key properties of chloromercury(1+);cyclopentanethiolate?
chloromercury(1+);cyclopentanethiolate has a molecular weight of 337.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromercury(1+);cyclopentanethiolate is sourced from PubChem (CID 6102072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).