sulfuric acid;tetramethylphosphanium

C4H14O4PS+ — CID 87132357

IUPACsulfuric acid;tetramethylphosphanium
SMILESC[P+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12P.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;
InChIKeyNCIGEKFXLAUXKR-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.87
Rot. Bonds

About sulfuric acid;tetramethylphosphanium

sulfuric acid;tetramethylphosphanium (PubChem CID 87132357) has the molecular formula C4H14O4PS+ and a molecular weight of 189.19 g/mol. Its IUPAC name is sulfuric acid;tetramethylphosphanium.

Molecular Properties

Compound Namesulfuric acid;tetramethylphosphanium
PubChem CID87132357
Molecular FormulaC4H14O4PS+
Molecular Weight189.19 g/mol
Exact Mass189.03
IUPAC Namesulfuric acid;tetramethylphosphanium
SMILESC[P+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12P.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;
InChIKeyNCIGEKFXLAUXKR-UHFFFAOYSA-N
XLogP0.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tetramethylphosphanium?
The IUPAC name of sulfuric acid;tetramethylphosphanium (CID 87132357) is sulfuric acid;tetramethylphosphanium.
What is the SMILES notation for sulfuric acid;tetramethylphosphanium?
The canonical SMILES for sulfuric acid;tetramethylphosphanium is C[P+](C)(C)C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tetramethylphosphanium?
The InChIKey is NCIGEKFXLAUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12P.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;.
What are the key properties of sulfuric acid;tetramethylphosphanium?
sulfuric acid;tetramethylphosphanium has a molecular weight of 189.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tetramethylphosphanium is sourced from PubChem (CID 87132357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).