2-(benzenesulfinyl)-3-phenyloxirane

C14H12O2S — CID 86766822

IUPAC2-(benzenesulfinyl)-3-phenyloxirane
SMILESO=S(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C14H12O2S/c15-17(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,13-14H
InChIKeyNDPMISSKQMGYLJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.89
Rot. Bonds3

About 2-(benzenesulfinyl)-3-phenyloxirane

2-(benzenesulfinyl)-3-phenyloxirane (PubChem CID 86766822) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3-phenyloxirane
PubChem CID86766822
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-(benzenesulfinyl)-3-phenyloxirane
SMILESO=S(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C14H12O2S/c15-17(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,13-14H
InChIKeyNDPMISSKQMGYLJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(benzenesulfinyl)-3-phenyloxirane?
The IUPAC name of 2-(benzenesulfinyl)-3-phenyloxirane (CID 86766822) is 2-(benzenesulfinyl)-3-phenyloxirane.
What is the SMILES notation for 2-(benzenesulfinyl)-3-phenyloxirane?
The canonical SMILES for 2-(benzenesulfinyl)-3-phenyloxirane is O=S(c1ccccc1)C1OC1c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-3-phenyloxirane?
The InChIKey is NDPMISSKQMGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-17(12-9-5-2-6-10-12)14-13(16-14)11-7-3-1-4-8-11/h1-10,13-14H.
What are the key properties of 2-(benzenesulfinyl)-3-phenyloxirane?
2-(benzenesulfinyl)-3-phenyloxirane has a molecular weight of 244.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3-phenyloxirane is sourced from PubChem (CID 86766822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).