methylsulfinylmethylphosphonic acid

C2H7O4PS — CID 118340472

IUPACmethylsulfinylmethylphosphonic acid
SMILESCS(=O)CP(=O)(O)O
InChIInChI=1S/C2H7O4PS/c1-8(6)2-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKeyIYMYGSVSSAKZHN-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.50
Rot. Bonds2

About methylsulfinylmethylphosphonic acid

methylsulfinylmethylphosphonic acid (PubChem CID 118340472) has the molecular formula C2H7O4PS and a molecular weight of 158.11 g/mol. Its IUPAC name is methylsulfinylmethylphosphonic acid.

Molecular Properties

Compound Namemethylsulfinylmethylphosphonic acid
PubChem CID118340472
Molecular FormulaC2H7O4PS
Molecular Weight158.11 g/mol
Exact Mass157.98
IUPAC Namemethylsulfinylmethylphosphonic acid
SMILESCS(=O)CP(=O)(O)O
InChIInChI=1S/C2H7O4PS/c1-8(6)2-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKeyIYMYGSVSSAKZHN-UHFFFAOYSA-N
XLogP-0.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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 methylsulfinylmethylphosphonic acid?
The IUPAC name of methylsulfinylmethylphosphonic acid (CID 118340472) is methylsulfinylmethylphosphonic acid.
What is the SMILES notation for methylsulfinylmethylphosphonic acid?
The canonical SMILES for methylsulfinylmethylphosphonic acid is CS(=O)CP(=O)(O)O.
What is the InChIKey of methylsulfinylmethylphosphonic acid?
The InChIKey is IYMYGSVSSAKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4PS/c1-8(6)2-7(3,4)5/h2H2,1H3,(H2,3,4,5).
What are the key properties of methylsulfinylmethylphosphonic acid?
methylsulfinylmethylphosphonic acid has a molecular weight of 158.11 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethylphosphonic acid is sourced from PubChem (CID 118340472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).