1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene

C15H14OS — CID 819537

IUPAC1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
SMILESCc1ccccc1C=CS(=O)c1ccccc1
InChIInChI=1S/C15H14OS/c1-13-7-5-6-8-14(13)11-12-17(16)15-9-3-2-4-10-15/h2-12H,1H3
InChIKeyBKUVEUHFTQXIPH-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene

1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene (PubChem CID 819537) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
PubChem CID819537
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
SMILESCc1ccccc1C=CS(=O)c1ccccc1
InChIInChI=1S/C15H14OS/c1-13-7-5-6-8-14(13)11-12-17(16)15-9-3-2-4-10-15/h2-12H,1H3
InChIKeyBKUVEUHFTQXIPH-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene?
The IUPAC name of 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene (CID 819537) is 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene?
The canonical SMILES for 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene is Cc1ccccc1C=CS(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene?
The InChIKey is BKUVEUHFTQXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-13-7-5-6-8-14(13)11-12-17(16)15-9-3-2-4-10-15/h2-12H,1H3.
What are the key properties of 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene?
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene has a molecular weight of 242.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene is sourced from PubChem (CID 819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).