bis(octylsulfanyl)mercury

C16H34HgS2 — CID 16685147

IUPACbis(octylsulfanyl)mercury
SMILESCCCCCCCCS[Hg]SCCCCCCCC
InChIInChI=1S/2C8H18S.Hg/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2
InChIKeyBOLVQIRNZPKJKY-UHFFFAOYSA-L
MW491.17 g/mol
LogP7.09
Rot. Bonds16

About bis(octylsulfanyl)mercury

bis(octylsulfanyl)mercury (PubChem CID 16685147) has the molecular formula C16H34HgS2 and a molecular weight of 491.17 g/mol. Its IUPAC name is bis(octylsulfanyl)mercury.

Molecular Properties

Compound Namebis(octylsulfanyl)mercury
PubChem CID16685147
Molecular FormulaC16H34HgS2
Molecular Weight491.17 g/mol
Exact Mass492.18
IUPAC Namebis(octylsulfanyl)mercury
SMILESCCCCCCCCS[Hg]SCCCCCCCC
InChIInChI=1S/2C8H18S.Hg/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2
InChIKeyBOLVQIRNZPKJKY-UHFFFAOYSA-L
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.17
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(octylsulfanyl)mercury 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

S-octylthiohydroxylamine
CID 130279962
1-hexylsulfanyltetradecane
CID 87077491
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-tetracosylsulfanyloctacosane
CID 87077758
1-tetracosylsulfanyltetracosane
CID 14647813
S-dotriacontylthiohydroxylamine;hydrochloride
CID 141039894

Frequently Asked Questions

What is the IUPAC name of bis(octylsulfanyl)mercury?
The IUPAC name of bis(octylsulfanyl)mercury (CID 16685147) is bis(octylsulfanyl)mercury.
What is the SMILES notation for bis(octylsulfanyl)mercury?
The canonical SMILES for bis(octylsulfanyl)mercury is CCCCCCCCS[Hg]SCCCCCCCC.
What is the InChIKey of bis(octylsulfanyl)mercury?
The InChIKey is BOLVQIRNZPKJKY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H18S.Hg/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2.
What are the key properties of bis(octylsulfanyl)mercury?
bis(octylsulfanyl)mercury has a molecular weight of 491.17 g/mol, XLogP of 7.09, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(octylsulfanyl)mercury is sourced from PubChem (CID 16685147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).