3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane

C5H8O4P2S2+2 — CID 14936774

IUPAC3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane
SMILESS=[P+]1OCC2(CO1)CO[P+](=S)OC2
InChIInChI=1S/C5H8O4P2S2/c12-10-6-1-5(2-7-10)3-8-11(13)9-4-5/h1-4H2/q+2
InChIKeySTLOBIYDVHNNCB-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.61
Rot. Bonds

About 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane

3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane (PubChem CID 14936774) has the molecular formula C5H8O4P2S2+2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane
PubChem CID14936774
Molecular FormulaC5H8O4P2S2+2
Molecular Weight258.20 g/mol
Exact Mass257.93
IUPAC Name3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane
SMILESS=[P+]1OCC2(CO1)CO[P+](=S)OC2
InChIInChI=1S/C5H8O4P2S2/c12-10-6-1-5(2-7-10)3-8-11(13)9-4-5/h1-4H2/q+2
InChIKeySTLOBIYDVHNNCB-UHFFFAOYSA-N
XLogP1.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane (CID 14936774) is 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane is S=[P+]1OCC2(CO1)CO[P+](=S)OC2.
What is the InChIKey of 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane?
The InChIKey is STLOBIYDVHNNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4P2S2/c12-10-6-1-5(2-7-10)3-8-11(13)9-4-5/h1-4H2/q+2.
What are the key properties of 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane?
3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane has a molecular weight of 258.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(sulfanylidene)-2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane is sourced from PubChem (CID 14936774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).