dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium

C10H11O3S+ — CID 134838023

IUPACdimethyl-(2-oxo-2-phenylacetyl)oxysulfanium
SMILESC[S+](C)OC(=O)C(=O)c1ccccc1
InChIInChI=1S/C10H11O3S/c1-14(2)13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyRHHBPHNIJHBVKT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.21
Rot. Bonds3

About dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium

dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium (PubChem CID 134838023) has the molecular formula C10H11O3S+ and a molecular weight of 211.26 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-phenylacetyl)oxysulfanium
PubChem CID134838023
Molecular FormulaC10H11O3S+
Molecular Weight211.26 g/mol
Exact Mass211.04
IUPAC Namedimethyl-(2-oxo-2-phenylacetyl)oxysulfanium
SMILESC[S+](C)OC(=O)C(=O)c1ccccc1
InChIInChI=1S/C10H11O3S/c1-14(2)13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyRHHBPHNIJHBVKT-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium?
The IUPAC name of dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium (CID 134838023) is dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium.
What is the SMILES notation for dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium?
The canonical SMILES for dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium is C[S+](C)OC(=O)C(=O)c1ccccc1.
What is the InChIKey of dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium?
The InChIKey is RHHBPHNIJHBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3S/c1-14(2)13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1.
What are the key properties of dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium?
dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium has a molecular weight of 211.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium is sourced from PubChem (CID 134838023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).