sulfonato sulfate;bis(tetramethylphosphanium)

C8H24O7P2S2 — CID 174869555

IUPACsulfonato sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)[O-]
InChIInChI=1S/2C4H12P.H2O7S2/c2*1-5(2,3)4;1-8(2,3)7-9(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyCAIPERJCADDXKE-UHFFFAOYSA-L
MW358.36 g/mol
LogP0.97
Rot. Bonds2

About sulfonato sulfate;bis(tetramethylphosphanium)

sulfonato sulfate;bis(tetramethylphosphanium) (PubChem CID 174869555) has the molecular formula C8H24O7P2S2 and a molecular weight of 358.36 g/mol. Its IUPAC name is sulfonato sulfate;bis(tetramethylphosphanium).

Molecular Properties

Compound Namesulfonato sulfate;bis(tetramethylphosphanium)
PubChem CID174869555
Molecular FormulaC8H24O7P2S2
Molecular Weight358.36 g/mol
Exact Mass358.04
IUPAC Namesulfonato sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)[O-]
InChIInChI=1S/2C4H12P.H2O7S2/c2*1-5(2,3)4;1-8(2,3)7-9(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyCAIPERJCADDXKE-UHFFFAOYSA-L
XLogP0.97
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

platinum(4+);sulfonato sulfate
CID 57353350
aluminum;sodium;sulfonato sulfate
CID 159964180
bis(tetramethylphosphanium);sulfate
CID 87132356
copper;hydrazine;sulfonato sulfate
CID 158083856
ethyl sulfate;tetramethylphosphanium
CID 161050866
potassium sulfo sulfate
CID 157130711
azanium propan-2-yl sulfate
CID 87164881
potassium;sulfo sulfate;sulfuric acid
CID 158562224
(2S)-2-sulfonatooxypropanoate
CID 25200888
sodium sulfooxysulfonyl sulfate
CID 175371917
lithium 2-methylpropyl sulfate
CID 158872210
sulfuric acid;tetramethylphosphanium
CID 87132357

Frequently Asked Questions

What is the IUPAC name of sulfonato sulfate;bis(tetramethylphosphanium)?
The IUPAC name of sulfonato sulfate;bis(tetramethylphosphanium) (CID 174869555) is sulfonato sulfate;bis(tetramethylphosphanium).
What is the SMILES notation for sulfonato sulfate;bis(tetramethylphosphanium)?
The canonical SMILES for sulfonato sulfate;bis(tetramethylphosphanium) is C[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)[O-].
What is the InChIKey of sulfonato sulfate;bis(tetramethylphosphanium)?
The InChIKey is CAIPERJCADDXKE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12P.H2O7S2/c2*1-5(2,3)4;1-8(2,3)7-9(4,5)6/h2*1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2.
What are the key properties of sulfonato sulfate;bis(tetramethylphosphanium)?
sulfonato sulfate;bis(tetramethylphosphanium) has a molecular weight of 358.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfonato sulfate;bis(tetramethylphosphanium) is sourced from PubChem (CID 174869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).