sulfuric acid;triethyl(methyl)phosphanium

C7H22O8PS2+ — CID 174902291

IUPACsulfuric acid;triethyl(methyl)phosphanium
SMILESCC[P+](C)(CC)CC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C7H18P.2H2O4S/c1-5-8(4,6-2)7-3;2*1-5(2,3)4/h5-7H2,1-4H3;2*(H2,1,2,3,4)/q+1;;
InChIKeyMPQXWZRFHYIANU-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.39
Rot. Bonds3

About sulfuric acid;triethyl(methyl)phosphanium

sulfuric acid;triethyl(methyl)phosphanium (PubChem CID 174902291) has the molecular formula C7H22O8PS2+ and a molecular weight of 329.35 g/mol. Its IUPAC name is sulfuric acid;triethyl(methyl)phosphanium.

Molecular Properties

Compound Namesulfuric acid;triethyl(methyl)phosphanium
PubChem CID174902291
Molecular FormulaC7H22O8PS2+
Molecular Weight329.35 g/mol
Exact Mass329.05
IUPAC Namesulfuric acid;triethyl(methyl)phosphanium
SMILESCC[P+](C)(CC)CC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C7H18P.2H2O4S/c1-5-8(4,6-2)7-3;2*1-5(2,3)4/h5-7H2,1-4H3;2*(H2,1,2,3,4)/q+1;;
InChIKeyMPQXWZRFHYIANU-UHFFFAOYSA-N
XLogP1.39
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-butan-2-ylbutan-2-amine;sulfuric acid
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CID 87069248
CID 87069248
(2R)-2-aminobutanenitrile;sulfuric acid
CID 87509392
sulfuric acid;trihexyl(methyl)phosphanium
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ethanol;iron;sulfuric acid
CID 174907324
ethanol;sulfuric acid;hydrate
CID 86634241
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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;triethyl(methyl)phosphanium?
The IUPAC name of sulfuric acid;triethyl(methyl)phosphanium (CID 174902291) is sulfuric acid;triethyl(methyl)phosphanium.
What is the SMILES notation for sulfuric acid;triethyl(methyl)phosphanium?
The canonical SMILES for sulfuric acid;triethyl(methyl)phosphanium is CC[P+](C)(CC)CC.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;triethyl(methyl)phosphanium?
The InChIKey is MPQXWZRFHYIANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18P.2H2O4S/c1-5-8(4,6-2)7-3;2*1-5(2,3)4/h5-7H2,1-4H3;2*(H2,1,2,3,4)/q+1;;.
What are the key properties of sulfuric acid;triethyl(methyl)phosphanium?
sulfuric acid;triethyl(methyl)phosphanium has a molecular weight of 329.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;triethyl(methyl)phosphanium is sourced from PubChem (CID 174902291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).