methylsulfonylmethoxy-oxido-oxophosphanium

C2H5O5PS — CID 21273987

IUPACmethylsulfonylmethoxy-oxido-oxophosphanium
SMILESCS(=O)(=O)CO[P+](=O)[O-]
InChIInChI=1S/C2H5O5PS/c1-9(5,6)2-7-8(3)4/h2H2,1H3
InChIKeyZRDUVGZKLRQGRF-UHFFFAOYSA-N
MW172.10 g/mol
LogP-0.98
Rot. Bonds3

About methylsulfonylmethoxy-oxido-oxophosphanium

methylsulfonylmethoxy-oxido-oxophosphanium (PubChem CID 21273987) has the molecular formula C2H5O5PS and a molecular weight of 172.10 g/mol. Its IUPAC name is methylsulfonylmethoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namemethylsulfonylmethoxy-oxido-oxophosphanium
PubChem CID21273987
Molecular FormulaC2H5O5PS
Molecular Weight172.10 g/mol
Exact Mass171.96
IUPAC Namemethylsulfonylmethoxy-oxido-oxophosphanium
SMILESCS(=O)(=O)CO[P+](=O)[O-]
InChIInChI=1S/C2H5O5PS/c1-9(5,6)2-7-8(3)4/h2H2,1H3
InChIKeyZRDUVGZKLRQGRF-UHFFFAOYSA-N
XLogP-0.98
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethoxy-oxido-oxophosphanium?
The IUPAC name of methylsulfonylmethoxy-oxido-oxophosphanium (CID 21273987) is methylsulfonylmethoxy-oxido-oxophosphanium.
What is the SMILES notation for methylsulfonylmethoxy-oxido-oxophosphanium?
The canonical SMILES for methylsulfonylmethoxy-oxido-oxophosphanium is CS(=O)(=O)CO[P+](=O)[O-].
What is the InChIKey of methylsulfonylmethoxy-oxido-oxophosphanium?
The InChIKey is ZRDUVGZKLRQGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O5PS/c1-9(5,6)2-7-8(3)4/h2H2,1H3.
What are the key properties of methylsulfonylmethoxy-oxido-oxophosphanium?
methylsulfonylmethoxy-oxido-oxophosphanium has a molecular weight of 172.10 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethoxy-oxido-oxophosphanium is sourced from PubChem (CID 21273987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).