2-(2-ethylphenyl)sulfonyloxirane

C10H12O3S — CID 71659902

IUPAC2-(2-ethylphenyl)sulfonyloxirane
SMILESCCc1ccccc1S(=O)(=O)C1CO1
InChIInChI=1S/C10H12O3S/c1-2-8-5-3-4-6-9(8)14(11,12)10-7-13-10/h3-6,10H,2,7H2,1H3
InChIKeyIWWMJBVIRHTALT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.38
Rot. Bonds3

About 2-(2-ethylphenyl)sulfonyloxirane

2-(2-ethylphenyl)sulfonyloxirane (PubChem CID 71659902) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-ethylphenyl)sulfonyloxirane.

Molecular Properties

Compound Name2-(2-ethylphenyl)sulfonyloxirane
PubChem CID71659902
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(2-ethylphenyl)sulfonyloxirane
SMILESCCc1ccccc1S(=O)(=O)C1CO1
InChIInChI=1S/C10H12O3S/c1-2-8-5-3-4-6-9(8)14(11,12)10-7-13-10/h3-6,10H,2,7H2,1H3
InChIKeyIWWMJBVIRHTALT-UHFFFAOYSA-N
XLogP1.38
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)sulfonyloxirane?
The IUPAC name of 2-(2-ethylphenyl)sulfonyloxirane (CID 71659902) is 2-(2-ethylphenyl)sulfonyloxirane.
What is the SMILES notation for 2-(2-ethylphenyl)sulfonyloxirane?
The canonical SMILES for 2-(2-ethylphenyl)sulfonyloxirane is CCc1ccccc1S(=O)(=O)C1CO1.
What is the InChIKey of 2-(2-ethylphenyl)sulfonyloxirane?
The InChIKey is IWWMJBVIRHTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-8-5-3-4-6-9(8)14(11,12)10-7-13-10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-(2-ethylphenyl)sulfonyloxirane?
2-(2-ethylphenyl)sulfonyloxirane has a molecular weight of 212.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)sulfonyloxirane is sourced from PubChem (CID 71659902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).