methylphosphonic acid;2-propan-2-ylsulfonylpropane

C7H19O5PS — CID 87563498

IUPACmethylphosphonic acid;2-propan-2-ylsulfonylpropane
SMILESCC(C)S(=O)(=O)C(C)C.CP(=O)(O)O
InChIInChI=1S/C6H14O2S.CH5O3P/c1-5(2)9(7,8)6(3)4;1-5(2,3)4/h5-6H,1-4H3;1H3,(H2,2,3,4)
InChIKeyQZLXFNDVIIZIDH-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.01
Rot. Bonds2

About methylphosphonic acid;2-propan-2-ylsulfonylpropane

methylphosphonic acid;2-propan-2-ylsulfonylpropane (PubChem CID 87563498) has the molecular formula C7H19O5PS and a molecular weight of 246.26 g/mol. Its IUPAC name is methylphosphonic acid;2-propan-2-ylsulfonylpropane.

Molecular Properties

Compound Namemethylphosphonic acid;2-propan-2-ylsulfonylpropane
PubChem CID87563498
Molecular FormulaC7H19O5PS
Molecular Weight246.26 g/mol
Exact Mass246.07
IUPAC Namemethylphosphonic acid;2-propan-2-ylsulfonylpropane
SMILESCC(C)S(=O)(=O)C(C)C.CP(=O)(O)O
InChIInChI=1S/C6H14O2S.CH5O3P/c1-5(2)9(7,8)6(3)4;1-5(2,3)4/h5-6H,1-4H3;1H3,(H2,2,3,4)
InChIKeyQZLXFNDVIIZIDH-UHFFFAOYSA-N
XLogP1.01
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane
CID 158746631
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sodium;carbanide;methylphosphonic acid
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ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
aminophosphonic acid;methylphosphonic acid
CID 87311898
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
bis(dimethylphosphinic acid);platinum
CID 58918492
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CID 159258868
sulfuric acid;tetramethylphosphanium
CID 87132357
sodium propane-2-sulfonic acid
CID 23363435
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CID 175283104

Frequently Asked Questions

What is the IUPAC name of methylphosphonic acid;2-propan-2-ylsulfonylpropane?
The IUPAC name of methylphosphonic acid;2-propan-2-ylsulfonylpropane (CID 87563498) is methylphosphonic acid;2-propan-2-ylsulfonylpropane.
What is the SMILES notation for methylphosphonic acid;2-propan-2-ylsulfonylpropane?
The canonical SMILES for methylphosphonic acid;2-propan-2-ylsulfonylpropane is CC(C)S(=O)(=O)C(C)C.CP(=O)(O)O.
What is the InChIKey of methylphosphonic acid;2-propan-2-ylsulfonylpropane?
The InChIKey is QZLXFNDVIIZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S.CH5O3P/c1-5(2)9(7,8)6(3)4;1-5(2,3)4/h5-6H,1-4H3;1H3,(H2,2,3,4).
What are the key properties of methylphosphonic acid;2-propan-2-ylsulfonylpropane?
methylphosphonic acid;2-propan-2-ylsulfonylpropane has a molecular weight of 246.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphonic acid;2-propan-2-ylsulfonylpropane is sourced from PubChem (CID 87563498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).