2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane

C9H8Cl2O3S — CID 117063408

IUPAC2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane
SMILESCS(=O)(=O)C1OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3S/c1-15(12,13)9-8(14-9)6-3-2-5(10)4-7(6)11/h2-4,8-9H,1H3
InChIKeyMWQOZELTSIPSCW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.44
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane

2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane (PubChem CID 117063408) has the molecular formula C9H8Cl2O3S and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane
PubChem CID117063408
Molecular FormulaC9H8Cl2O3S
Molecular Weight267.13 g/mol
Exact Mass265.96
IUPAC Name2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane
SMILESCS(=O)(=O)C1OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3S/c1-15(12,13)9-8(14-9)6-3-2-5(10)4-7(6)11/h2-4,8-9H,1H3
InChIKeyMWQOZELTSIPSCW-UHFFFAOYSA-N
XLogP2.44
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.44
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-(2,4-dichlorophenyl)-3-methylsulfonyloxirane?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane (CID 117063408) is 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane is CS(=O)(=O)C1OC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane?
The InChIKey is MWQOZELTSIPSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3S/c1-15(12,13)9-8(14-9)6-3-2-5(10)4-7(6)11/h2-4,8-9H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane?
2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane has a molecular weight of 267.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane is sourced from PubChem (CID 117063408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).