1,3,7,9-tetrathiaspiro[5.5]undecane

C7H12S4 — CID 165365564

IUPAC1,3,7,9-tetrathiaspiro[5.5]undecane
SMILESC1CC2(CCSCS2)SCS1
InChIInChI=1S/C7H12S4/c1-3-8-5-10-7(1)2-4-9-6-11-7/h1-6H2
InChIKeyPFCFBGCOSJXGLR-UHFFFAOYSA-N
MW224.44 g/mol
LogP3.34
Rot. Bonds

About 1,3,7,9-tetrathiaspiro[5.5]undecane

1,3,7,9-tetrathiaspiro[5.5]undecane (PubChem CID 165365564) has the molecular formula C7H12S4 and a molecular weight of 224.44 g/mol. Its IUPAC name is 1,3,7,9-tetrathiaspiro[5.5]undecane.

Molecular Properties

Compound Name1,3,7,9-tetrathiaspiro[5.5]undecane
PubChem CID165365564
Molecular FormulaC7H12S4
Molecular Weight224.44 g/mol
Exact Mass223.98
IUPAC Name1,3,7,9-tetrathiaspiro[5.5]undecane
SMILESC1CC2(CCSCS2)SCS1
InChIInChI=1S/C7H12S4/c1-3-8-5-10-7(1)2-4-9-6-11-7/h1-6H2
InChIKeyPFCFBGCOSJXGLR-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetrathiaspiro[5.5]undecane?
The IUPAC name of 1,3,7,9-tetrathiaspiro[5.5]undecane (CID 165365564) is 1,3,7,9-tetrathiaspiro[5.5]undecane.
What is the SMILES notation for 1,3,7,9-tetrathiaspiro[5.5]undecane?
The canonical SMILES for 1,3,7,9-tetrathiaspiro[5.5]undecane is C1CC2(CCSCS2)SCS1.
What is the InChIKey of 1,3,7,9-tetrathiaspiro[5.5]undecane?
The InChIKey is PFCFBGCOSJXGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S4/c1-3-8-5-10-7(1)2-4-9-6-11-7/h1-6H2.
What are the key properties of 1,3,7,9-tetrathiaspiro[5.5]undecane?
1,3,7,9-tetrathiaspiro[5.5]undecane has a molecular weight of 224.44 g/mol, XLogP of 3.34, 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-tetrathiaspiro[5.5]undecane is sourced from PubChem (CID 165365564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).