1,3,7,9-tetrathiacyclododecane

C8H16S4 — CID 102316759

IUPAC1,3,7,9-tetrathiacyclododecane
SMILESC1CSCSCCCSCSC1
InChIInChI=1S/C8H16S4/c1-3-9-7-11-5-2-6-12-8-10-4-1/h1-8H2
InChIKeyWPXNMISOMFJFSJ-UHFFFAOYSA-N
MW240.48 g/mol
LogP3.63
Rot. Bonds

About 1,3,7,9-tetrathiacyclododecane

1,3,7,9-tetrathiacyclododecane (PubChem CID 102316759) has the molecular formula C8H16S4 and a molecular weight of 240.48 g/mol. Its IUPAC name is 1,3,7,9-tetrathiacyclododecane.

Molecular Properties

Compound Name1,3,7,9-tetrathiacyclododecane
PubChem CID102316759
Molecular FormulaC8H16S4
Molecular Weight240.48 g/mol
Exact Mass240.01
IUPAC Name1,3,7,9-tetrathiacyclododecane
SMILESC1CSCSCCCSCSC1
InChIInChI=1S/C8H16S4/c1-3-9-7-11-5-2-6-12-8-10-4-1/h1-8H2
InChIKeyWPXNMISOMFJFSJ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetrathiacyclododecane?
The IUPAC name of 1,3,7,9-tetrathiacyclododecane (CID 102316759) is 1,3,7,9-tetrathiacyclododecane.
What is the SMILES notation for 1,3,7,9-tetrathiacyclododecane?
The canonical SMILES for 1,3,7,9-tetrathiacyclododecane is C1CSCSCCCSCSC1.
What is the InChIKey of 1,3,7,9-tetrathiacyclododecane?
The InChIKey is WPXNMISOMFJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S4/c1-3-9-7-11-5-2-6-12-8-10-4-1/h1-8H2.
What are the key properties of 1,3,7,9-tetrathiacyclododecane?
1,3,7,9-tetrathiacyclododecane has a molecular weight of 240.48 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,9-tetrathiacyclododecane is sourced from PubChem (CID 102316759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).