methylphosphinous acid;sulfuric acid

CH7O5PS — CID 87170524

IUPACmethylphosphinous acid;sulfuric acid
SMILESCPO.O=S(=O)(O)O
InChIInChI=1S/CH5OP.H2O4S/c1-3-2;1-5(2,3)4/h2-3H,1H3;(H2,1,2,3,4)
InChIKeyZKTLUGNNUPITII-UHFFFAOYSA-N
MW162.10 g/mol
LogP-0.45
Rot. Bonds

About methylphosphinous acid;sulfuric acid

methylphosphinous acid;sulfuric acid (PubChem CID 87170524) has the molecular formula CH7O5PS and a molecular weight of 162.10 g/mol. Its IUPAC name is methylphosphinous acid;sulfuric acid.

Molecular Properties

Compound Namemethylphosphinous acid;sulfuric acid
PubChem CID87170524
Molecular FormulaCH7O5PS
Molecular Weight162.10 g/mol
Exact Mass161.98
IUPAC Namemethylphosphinous acid;sulfuric acid
SMILESCPO.O=S(=O)(O)O
InChIInChI=1S/CH5OP.H2O4S/c1-3-2;1-5(2,3)4/h2-3H,1H3;(H2,1,2,3,4)
InChIKeyZKTLUGNNUPITII-UHFFFAOYSA-N
XLogP-0.45
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of methylphosphinous acid;sulfuric acid?
The IUPAC name of methylphosphinous acid;sulfuric acid (CID 87170524) is methylphosphinous acid;sulfuric acid.
What is the SMILES notation for methylphosphinous acid;sulfuric acid?
The canonical SMILES for methylphosphinous acid;sulfuric acid is CPO.O=S(=O)(O)O.
What is the InChIKey of methylphosphinous acid;sulfuric acid?
The InChIKey is ZKTLUGNNUPITII-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5OP.H2O4S/c1-3-2;1-5(2,3)4/h2-3H,1H3;(H2,1,2,3,4).
What are the key properties of methylphosphinous acid;sulfuric acid?
methylphosphinous acid;sulfuric acid has a molecular weight of 162.10 g/mol, XLogP of -0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphinous acid;sulfuric acid is sourced from PubChem (CID 87170524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).