cyclooctadecane-1,2,3,4,5,6-hexathione

C18H24S6 — CID 87490873

IUPACcyclooctadecane-1,2,3,4,5,6-hexathione
SMILESS=C1CCCCCCCCCCCCC(=S)C(=S)C(=S)C(=S)C1=S
InChIInChI=1S/C18H24S6/c19-13-11-9-7-5-3-1-2-4-6-8-10-12-14(20)16(22)18(24)17(23)15(13)21/h1-12H2
InChIKeySQWNDMYYRZOVFG-UHFFFAOYSA-N
MW432.79 g/mol
LogP6.90
Rot. Bonds

About cyclooctadecane-1,2,3,4,5,6-hexathione

cyclooctadecane-1,2,3,4,5,6-hexathione (PubChem CID 87490873) has the molecular formula C18H24S6 and a molecular weight of 432.79 g/mol. Its IUPAC name is cyclooctadecane-1,2,3,4,5,6-hexathione.

Molecular Properties

Compound Namecyclooctadecane-1,2,3,4,5,6-hexathione
PubChem CID87490873
Molecular FormulaC18H24S6
Molecular Weight432.79 g/mol
Exact Mass432.02
IUPAC Namecyclooctadecane-1,2,3,4,5,6-hexathione
SMILESS=C1CCCCCCCCCCCCC(=S)C(=S)C(=S)C(=S)C1=S
InChIInChI=1S/C18H24S6/c19-13-11-9-7-5-3-1-2-4-6-8-10-12-14(20)16(22)18(24)17(23)15(13)21/h1-12H2
InChIKeySQWNDMYYRZOVFG-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclooctadecane-1,2,3,4,5,6-hexathione?
The IUPAC name of cyclooctadecane-1,2,3,4,5,6-hexathione (CID 87490873) is cyclooctadecane-1,2,3,4,5,6-hexathione.
What is the SMILES notation for cyclooctadecane-1,2,3,4,5,6-hexathione?
The canonical SMILES for cyclooctadecane-1,2,3,4,5,6-hexathione is S=C1CCCCCCCCCCCCC(=S)C(=S)C(=S)C(=S)C1=S.
What is the InChIKey of cyclooctadecane-1,2,3,4,5,6-hexathione?
The InChIKey is SQWNDMYYRZOVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24S6/c19-13-11-9-7-5-3-1-2-4-6-8-10-12-14(20)16(22)18(24)17(23)15(13)21/h1-12H2.
What are the key properties of cyclooctadecane-1,2,3,4,5,6-hexathione?
cyclooctadecane-1,2,3,4,5,6-hexathione has a molecular weight of 432.79 g/mol, XLogP of 6.90, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctadecane-1,2,3,4,5,6-hexathione is sourced from PubChem (CID 87490873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).