phenyl(2-sulfanylpropan-2-yl)phosphinic acid

C9H13O2PS — CID 785432

IUPACphenyl(2-sulfanylpropan-2-yl)phosphinic acid
SMILESCC(C)(S)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H13O2PS/c1-9(2,13)12(10,11)8-6-4-3-5-7-8/h3-7,13H,1-2H3,(H,10,11)
InChIKeyPAQLWERHGQYPMF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds2

About phenyl(2-sulfanylpropan-2-yl)phosphinic acid

phenyl(2-sulfanylpropan-2-yl)phosphinic acid (PubChem CID 785432) has the molecular formula C9H13O2PS and a molecular weight of 216.24 g/mol. Its IUPAC name is phenyl(2-sulfanylpropan-2-yl)phosphinic acid.

Molecular Properties

Compound Namephenyl(2-sulfanylpropan-2-yl)phosphinic acid
PubChem CID785432
Molecular FormulaC9H13O2PS
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC Namephenyl(2-sulfanylpropan-2-yl)phosphinic acid
SMILESCC(C)(S)P(=O)(O)c1ccccc1
InChIInChI=1S/C9H13O2PS/c1-9(2,13)12(10,11)8-6-4-3-5-7-8/h3-7,13H,1-2H3,(H,10,11)
InChIKeyPAQLWERHGQYPMF-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-nitropropan-2-yl(phenyl)phosphinic acid
CID 71392637
diphenylphosphinic acid chloride
CID 53401992
methyl(phenyl)phosphinic acid;zinc
CID 66618039
phenylphosphonic acid;terbium
CID 175289814
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
CID 87905295
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
phenylphosphonamidic acid
CID 18388605

Frequently Asked Questions

What is the IUPAC name of phenyl(2-sulfanylpropan-2-yl)phosphinic acid?
The IUPAC name of phenyl(2-sulfanylpropan-2-yl)phosphinic acid (CID 785432) is phenyl(2-sulfanylpropan-2-yl)phosphinic acid.
What is the SMILES notation for phenyl(2-sulfanylpropan-2-yl)phosphinic acid?
The canonical SMILES for phenyl(2-sulfanylpropan-2-yl)phosphinic acid is CC(C)(S)P(=O)(O)c1ccccc1.
What is the InChIKey of phenyl(2-sulfanylpropan-2-yl)phosphinic acid?
The InChIKey is PAQLWERHGQYPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2PS/c1-9(2,13)12(10,11)8-6-4-3-5-7-8/h3-7,13H,1-2H3,(H,10,11).
What are the key properties of phenyl(2-sulfanylpropan-2-yl)phosphinic acid?
phenyl(2-sulfanylpropan-2-yl)phosphinic acid has a molecular weight of 216.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2-sulfanylpropan-2-yl)phosphinic acid is sourced from PubChem (CID 785432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).