1,2,5,6,9,10-hexathiacyclododecane

C6H12S6 — CID 11097821

IUPAC1,2,5,6,9,10-hexathiacyclododecane
SMILESC1CSSCCSSCCSS1
InChIInChI=1S/C6H12S6/c1-2-8-10-5-6-12-11-4-3-9-7-1/h1-6H2
InChIKeyZGWQWICDYRJNFU-UHFFFAOYSA-N
MW276.56 g/mol
LogP4.14
Rot. Bonds

About 1,2,5,6,9,10-hexathiacyclododecane

1,2,5,6,9,10-hexathiacyclododecane (PubChem CID 11097821) has the molecular formula C6H12S6 and a molecular weight of 276.56 g/mol. Its IUPAC name is 1,2,5,6,9,10-hexathiacyclododecane.

Molecular Properties

Compound Name1,2,5,6,9,10-hexathiacyclododecane
PubChem CID11097821
Molecular FormulaC6H12S6
Molecular Weight276.56 g/mol
Exact Mass275.93
IUPAC Name1,2,5,6,9,10-hexathiacyclododecane
SMILESC1CSSCCSSCCSS1
InChIInChI=1S/C6H12S6/c1-2-8-10-5-6-12-11-4-3-9-7-1/h1-6H2
InChIKeyZGWQWICDYRJNFU-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,9,10-hexathiacyclododecane?
The IUPAC name of 1,2,5,6,9,10-hexathiacyclododecane (CID 11097821) is 1,2,5,6,9,10-hexathiacyclododecane.
What is the SMILES notation for 1,2,5,6,9,10-hexathiacyclododecane?
The canonical SMILES for 1,2,5,6,9,10-hexathiacyclododecane is C1CSSCCSSCCSS1.
What is the InChIKey of 1,2,5,6,9,10-hexathiacyclododecane?
The InChIKey is ZGWQWICDYRJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S6/c1-2-8-10-5-6-12-11-4-3-9-7-1/h1-6H2.
What are the key properties of 1,2,5,6,9,10-hexathiacyclododecane?
1,2,5,6,9,10-hexathiacyclododecane has a molecular weight of 276.56 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,9,10-hexathiacyclododecane is sourced from PubChem (CID 11097821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).