methylsulfonyloxy(phosphoroso)methanesulfonic acid

C2H5O7PS2 — CID 130464275

IUPACmethylsulfonyloxy(phosphoroso)methanesulfonic acid
SMILESCS(=O)(=O)OC(P=O)S(=O)(=O)O
InChIInChI=1S/C2H5O7PS2/c1-11(4,5)9-2(10-3)12(6,7)8/h2H,1H3,(H,6,7,8)
InChIKeyRNPNPJHSSYQTBQ-UHFFFAOYSA-N
MW236.16 g/mol
LogP-0.57
Rot. Bonds4

About methylsulfonyloxy(phosphoroso)methanesulfonic acid

methylsulfonyloxy(phosphoroso)methanesulfonic acid (PubChem CID 130464275) has the molecular formula C2H5O7PS2 and a molecular weight of 236.16 g/mol. Its IUPAC name is methylsulfonyloxy(phosphoroso)methanesulfonic acid.

Molecular Properties

Compound Namemethylsulfonyloxy(phosphoroso)methanesulfonic acid
PubChem CID130464275
Molecular FormulaC2H5O7PS2
Molecular Weight236.16 g/mol
Exact Mass235.92
IUPAC Namemethylsulfonyloxy(phosphoroso)methanesulfonic acid
SMILESCS(=O)(=O)OC(P=O)S(=O)(=O)O
InChIInChI=1S/C2H5O7PS2/c1-11(4,5)9-2(10-3)12(6,7)8/h2H,1H3,(H,6,7,8)
InChIKeyRNPNPJHSSYQTBQ-UHFFFAOYSA-N
XLogP-0.57
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxy(phosphoroso)methanesulfonic acid?
The IUPAC name of methylsulfonyloxy(phosphoroso)methanesulfonic acid (CID 130464275) is methylsulfonyloxy(phosphoroso)methanesulfonic acid.
What is the SMILES notation for methylsulfonyloxy(phosphoroso)methanesulfonic acid?
The canonical SMILES for methylsulfonyloxy(phosphoroso)methanesulfonic acid is CS(=O)(=O)OC(P=O)S(=O)(=O)O.
What is the InChIKey of methylsulfonyloxy(phosphoroso)methanesulfonic acid?
The InChIKey is RNPNPJHSSYQTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O7PS2/c1-11(4,5)9-2(10-3)12(6,7)8/h2H,1H3,(H,6,7,8).
What are the key properties of methylsulfonyloxy(phosphoroso)methanesulfonic acid?
methylsulfonyloxy(phosphoroso)methanesulfonic acid has a molecular weight of 236.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxy(phosphoroso)methanesulfonic acid is sourced from PubChem (CID 130464275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).