1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane

C20H36S4 — CID 72734912

IUPAC1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane
SMILESC1CCCCC2(CCCCC3(CCC1)SCCCS3)SCCCS2
InChIInChI=1S/C20H36S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-18H2
InChIKeyYJCRUARPUMMRGH-UHFFFAOYSA-N
MW404.78 g/mol
LogP7.81
Rot. Bonds

About 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane

1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane (PubChem CID 72734912) has the molecular formula C20H36S4 and a molecular weight of 404.78 g/mol. Its IUPAC name is 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane.

Molecular Properties

Compound Name1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane
PubChem CID72734912
Molecular FormulaC20H36S4
Molecular Weight404.78 g/mol
Exact Mass404.17
IUPAC Name1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane
SMILESC1CCCCC2(CCCCC3(CCC1)SCCCS3)SCCCS2
InChIInChI=1S/C20H36S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-18H2
InChIKeyYJCRUARPUMMRGH-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane?
The IUPAC name of 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane (CID 72734912) is 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane.
What is the SMILES notation for 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane?
The canonical SMILES for 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane is C1CCCCC2(CCCCC3(CCC1)SCCCS3)SCCCS2.
What is the InChIKey of 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane?
The InChIKey is YJCRUARPUMMRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-18H2.
What are the key properties of 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane?
1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane has a molecular weight of 404.78 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,12,16-tetrathiadispiro[5.4.511.86]tetracosane is sourced from PubChem (CID 72734912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).