2-(benzenesulfinyl)-1-phenylethanone

C14H12O2S — CID 10900874

IUPAC2-(benzenesulfinyl)-1-phenylethanone
SMILESO=C(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(12-7-3-1-4-8-12)11-17(16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCGSYWOFFKKJGJV-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(benzenesulfinyl)-1-phenylethanone

2-(benzenesulfinyl)-1-phenylethanone (PubChem CID 10900874) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-phenylethanone
PubChem CID10900874
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-(benzenesulfinyl)-1-phenylethanone
SMILESO=C(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(12-7-3-1-4-8-12)11-17(16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCGSYWOFFKKJGJV-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-phenylethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-phenylethanone (CID 10900874) is 2-(benzenesulfinyl)-1-phenylethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-phenylethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-phenylethanone is O=C(CS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-phenylethanone?
The InChIKey is CGSYWOFFKKJGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-14(12-7-3-1-4-8-12)11-17(16)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-(benzenesulfinyl)-1-phenylethanone?
2-(benzenesulfinyl)-1-phenylethanone has a molecular weight of 244.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-phenylethanone is sourced from PubChem (CID 10900874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).