phenyl(phosphanyl)methanesulfonic acid

C7H9O3PS — CID 150026989

IUPACphenyl(phosphanyl)methanesulfonic acid
SMILESO=S(=O)(O)C(P)c1ccccc1
InChIInChI=1S/C7H9O3PS/c8-12(9,10)7(11)6-4-2-1-3-5-6/h1-5,7H,11H2,(H,8,9,10)
InChIKeyDGLHDWJDJZJGPR-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.45
Rot. Bonds2

About phenyl(phosphanyl)methanesulfonic acid

phenyl(phosphanyl)methanesulfonic acid (PubChem CID 150026989) has the molecular formula C7H9O3PS and a molecular weight of 204.19 g/mol. Its IUPAC name is phenyl(phosphanyl)methanesulfonic acid.

Molecular Properties

Compound Namephenyl(phosphanyl)methanesulfonic acid
PubChem CID150026989
Molecular FormulaC7H9O3PS
Molecular Weight204.19 g/mol
Exact Mass204.00
IUPAC Namephenyl(phosphanyl)methanesulfonic acid
SMILESO=S(=O)(O)C(P)c1ccccc1
InChIInChI=1S/C7H9O3PS/c8-12(9,10)7(11)6-4-2-1-3-5-6/h1-5,7H,11H2,(H,8,9,10)
InChIKeyDGLHDWJDJZJGPR-UHFFFAOYSA-N
XLogP1.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
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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Related Compounds

1-phenylethanesulfonic acid
CID 10997746
sodium;hydride;phenylmethanedisulfonic acid
CID 174651306
1-phenylprop-2-ene-1-sulfonic acid
CID 158794272
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
phenylmethanediamine;sulfuric acid
CID 173298028
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(4-methylphenyl)-phenylmethanesulfonic acid
CID 22237748
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
cumene;sulfurochloridic acid
CID 23037521
(1S,3R)-1-hydroxy-3-phenylpropane-1,3-disulfonic acid
CID 129359835
[hydroxy(phenyl)methyl] hydrogen sulfate
CID 157469459

Frequently Asked Questions

What is the IUPAC name of phenyl(phosphanyl)methanesulfonic acid?
The IUPAC name of phenyl(phosphanyl)methanesulfonic acid (CID 150026989) is phenyl(phosphanyl)methanesulfonic acid.
What is the SMILES notation for phenyl(phosphanyl)methanesulfonic acid?
The canonical SMILES for phenyl(phosphanyl)methanesulfonic acid is O=S(=O)(O)C(P)c1ccccc1.
What is the InChIKey of phenyl(phosphanyl)methanesulfonic acid?
The InChIKey is DGLHDWJDJZJGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3PS/c8-12(9,10)7(11)6-4-2-1-3-5-6/h1-5,7H,11H2,(H,8,9,10).
What are the key properties of phenyl(phosphanyl)methanesulfonic acid?
phenyl(phosphanyl)methanesulfonic acid has a molecular weight of 204.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phosphanyl)methanesulfonic acid is sourced from PubChem (CID 150026989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).