1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane

C22H40S4 — CID 72735089

IUPAC1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane
SMILESC1CCCCCC2(CCCCC3(CCCC1)SCCCS3)SCCCS2
InChIInChI=1S/C22H40S4/c1-2-4-6-8-14-22(25-19-12-20-26-22)16-10-9-15-21(13-7-5-3-1)23-17-11-18-24-21/h1-20H2
InChIKeyUZKMCRMPUJTVSE-UHFFFAOYSA-N
MW432.83 g/mol
LogP8.59
Rot. Bonds

About 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane

1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane (PubChem CID 72735089) has the molecular formula C22H40S4 and a molecular weight of 432.83 g/mol. Its IUPAC name is 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane.

Molecular Properties

Compound Name1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane
PubChem CID72735089
Molecular FormulaC22H40S4
Molecular Weight432.83 g/mol
Exact Mass432.20
IUPAC Name1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane
SMILESC1CCCCCC2(CCCCC3(CCCC1)SCCCS3)SCCCS2
InChIInChI=1S/C22H40S4/c1-2-4-6-8-14-22(25-19-12-20-26-22)16-10-9-15-21(13-7-5-3-1)23-17-11-18-24-21/h1-20H2
InChIKeyUZKMCRMPUJTVSE-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 58.59
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[5.4.511.106]hexacosane?
The IUPAC name of 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane (CID 72735089) is 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane.
What is the SMILES notation for 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane?
The canonical SMILES for 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane is C1CCCCCC2(CCCCC3(CCCC1)SCCCS3)SCCCS2.
What is the InChIKey of 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane?
The InChIKey is UZKMCRMPUJTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40S4/c1-2-4-6-8-14-22(25-19-12-20-26-22)16-10-9-15-21(13-7-5-3-1)23-17-11-18-24-21/h1-20H2.
What are the key properties of 1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane?
1,5,12,16-tetrathiadispiro[5.4.511.106]hexacosane has a molecular weight of 432.83 g/mol, XLogP of 8.59, 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[5.4.511.106]hexacosane is sourced from PubChem (CID 72735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).