2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane

C24H36O4S6Se2 — CID 10996246

IUPAC2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane
SMILESCCSC1=C(SCCOC2CCCCO2)S/C(=C2/SC(SCCOC3CCCCO3)=C(SCC)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S6Se2/c1-3-29-21-19(31-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)30-4-2)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyGWMMYLGOMZYSNA-WCWDXBQESA-N
MW738.87 g/mol
LogP7.33
Rot. Bonds14

About 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane

2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane (PubChem CID 10996246) has the molecular formula C24H36O4S6Se2 and a molecular weight of 738.87 g/mol. Its IUPAC name is 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane
PubChem CID10996246
Molecular FormulaC24H36O4S6Se2
Molecular Weight738.87 g/mol
Exact Mass739.93
IUPAC Name2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane
SMILESCCSC1=C(SCCOC2CCCCO2)S/C(=C2/SC(SCCOC3CCCCO3)=C(SCC)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S6Se2/c1-3-29-21-19(31-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)30-4-2)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyGWMMYLGOMZYSNA-WCWDXBQESA-N
XLogP7.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.87
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane?
The IUPAC name of 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane (CID 10996246) is 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane?
The canonical SMILES for 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane is CCSC1=C(SCCOC2CCCCO2)S/C(=C2/SC(SCCOC3CCCCO3)=C(SCC)[Se]2)[Se]1.
What is the InChIKey of 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane?
The InChIKey is GWMMYLGOMZYSNA-WCWDXBQESA-N. The full InChI is InChI=1S/C24H36O4S6Se2/c1-3-29-21-19(31-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)30-4-2)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+.
What are the key properties of 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane?
2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane has a molecular weight of 738.87 g/mol, XLogP of 7.33, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethoxy]oxane is sourced from PubChem (CID 10996246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).