(2,6-dimethyl-3-sulfanylphenyl)mercury

C8H9HgS — CID 59905418

IUPAC(2,6-dimethyl-3-sulfanylphenyl)mercury
SMILESCc1ccc(S)c(C)c1[Hg]
InChIInChI=1S/C8H9S.Hg/c1-6-3-4-8(9)7(2)5-6;/h3-4,9H,1-2H3;
InChIKeyIRBWSSIADRLLNZ-UHFFFAOYSA-N
MW337.82 g/mol
LogP1.76
Rot. Bonds

About (2,6-dimethyl-3-sulfanylphenyl)mercury

(2,6-dimethyl-3-sulfanylphenyl)mercury (PubChem CID 59905418) has the molecular formula C8H9HgS and a molecular weight of 337.82 g/mol. Its IUPAC name is (2,6-dimethyl-3-sulfanylphenyl)mercury.

Molecular Properties

Compound Name(2,6-dimethyl-3-sulfanylphenyl)mercury
PubChem CID59905418
Molecular FormulaC8H9HgS
Molecular Weight337.82 g/mol
Exact Mass339.01
IUPAC Name(2,6-dimethyl-3-sulfanylphenyl)mercury
SMILESCc1ccc(S)c(C)c1[Hg]
InChIInChI=1S/C8H9S.Hg/c1-6-3-4-8(9)7(2)5-6;/h3-4,9H,1-2H3;
InChIKeyIRBWSSIADRLLNZ-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-sulfanylphenyl)mercury?
The IUPAC name of (2,6-dimethyl-3-sulfanylphenyl)mercury (CID 59905418) is (2,6-dimethyl-3-sulfanylphenyl)mercury.
What is the SMILES notation for (2,6-dimethyl-3-sulfanylphenyl)mercury?
The canonical SMILES for (2,6-dimethyl-3-sulfanylphenyl)mercury is Cc1ccc(S)c(C)c1[Hg].
What is the InChIKey of (2,6-dimethyl-3-sulfanylphenyl)mercury?
The InChIKey is IRBWSSIADRLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.Hg/c1-6-3-4-8(9)7(2)5-6;/h3-4,9H,1-2H3;.
What are the key properties of (2,6-dimethyl-3-sulfanylphenyl)mercury?
(2,6-dimethyl-3-sulfanylphenyl)mercury has a molecular weight of 337.82 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-sulfanylphenyl)mercury is sourced from PubChem (CID 59905418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).