methylphosphanyl methanesulfinate

C2H7O2PS — CID 87159458

IUPACmethylphosphanyl methanesulfinate
SMILESCPOS(C)=O
InChIInChI=1S/C2H7O2PS/c1-5-4-6(2)3/h5H,1-2H3
InChIKeyQGHHKZUDCFUNNY-UHFFFAOYSA-N
MW126.12 g/mol
LogP0.52
Rot. Bonds2

About methylphosphanyl methanesulfinate

methylphosphanyl methanesulfinate (PubChem CID 87159458) has the molecular formula C2H7O2PS and a molecular weight of 126.12 g/mol. Its IUPAC name is methylphosphanyl methanesulfinate.

Molecular Properties

Compound Namemethylphosphanyl methanesulfinate
PubChem CID87159458
Molecular FormulaC2H7O2PS
Molecular Weight126.12 g/mol
Exact Mass125.99
IUPAC Namemethylphosphanyl methanesulfinate
SMILESCPOS(C)=O
InChIInChI=1S/C2H7O2PS/c1-5-4-6(2)3/h5H,1-2H3
InChIKeyQGHHKZUDCFUNNY-UHFFFAOYSA-N
XLogP0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylphosphanyl methanesulfinate?
The IUPAC name of methylphosphanyl methanesulfinate (CID 87159458) is methylphosphanyl methanesulfinate.
What is the SMILES notation for methylphosphanyl methanesulfinate?
The canonical SMILES for methylphosphanyl methanesulfinate is CPOS(C)=O.
What is the InChIKey of methylphosphanyl methanesulfinate?
The InChIKey is QGHHKZUDCFUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS/c1-5-4-6(2)3/h5H,1-2H3.
What are the key properties of methylphosphanyl methanesulfinate?
methylphosphanyl methanesulfinate has a molecular weight of 126.12 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphanyl methanesulfinate is sourced from PubChem (CID 87159458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).