sulfonatooxy sulfate;bis(tetramethylphosphanium)

C8H24O8P2S2 — CID 87388922

IUPACsulfonatooxy sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OOS(=O)(=O)[O-]
InChIInChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-9(2,3)7-8-10(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeySQALFHDGLGCZFS-UHFFFAOYSA-L
MW374.35 g/mol
LogP0.90
Rot. Bonds3

About sulfonatooxy sulfate;bis(tetramethylphosphanium)

sulfonatooxy sulfate;bis(tetramethylphosphanium) (PubChem CID 87388922) has the molecular formula C8H24O8P2S2 and a molecular weight of 374.35 g/mol. Its IUPAC name is sulfonatooxy sulfate;bis(tetramethylphosphanium).

Molecular Properties

Compound Namesulfonatooxy sulfate;bis(tetramethylphosphanium)
PubChem CID87388922
Molecular FormulaC8H24O8P2S2
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC Namesulfonatooxy sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OOS(=O)(=O)[O-]
InChIInChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-9(2,3)7-8-10(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeySQALFHDGLGCZFS-UHFFFAOYSA-L
XLogP0.90
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfonatooxy sulfate;bis(tetramethylphosphanium)?
The IUPAC name of sulfonatooxy sulfate;bis(tetramethylphosphanium) (CID 87388922) is sulfonatooxy sulfate;bis(tetramethylphosphanium).
What is the SMILES notation for sulfonatooxy sulfate;bis(tetramethylphosphanium)?
The canonical SMILES for sulfonatooxy sulfate;bis(tetramethylphosphanium) is C[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OOS(=O)(=O)[O-].
What is the InChIKey of sulfonatooxy sulfate;bis(tetramethylphosphanium)?
The InChIKey is SQALFHDGLGCZFS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-9(2,3)7-8-10(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2.
What are the key properties of sulfonatooxy sulfate;bis(tetramethylphosphanium)?
sulfonatooxy sulfate;bis(tetramethylphosphanium) has a molecular weight of 374.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sulfonatooxy sulfate;bis(tetramethylphosphanium) is sourced from PubChem (CID 87388922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).