[(E)-2-(benzenesulfinyl)ethenyl]benzene

C14H12OS — CID 819548

IUPAC[(E)-2-(benzenesulfinyl)ethenyl]benzene
SMILESO=S(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyWRVORYDZGTVRLF-VAWYXSNFSA-N
MW228.32 g/mol
LogP3.47
Rot. Bonds3

About [(E)-2-(benzenesulfinyl)ethenyl]benzene

[(E)-2-(benzenesulfinyl)ethenyl]benzene (PubChem CID 819548) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is [(E)-2-(benzenesulfinyl)ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfinyl)ethenyl]benzene
PubChem CID819548
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name[(E)-2-(benzenesulfinyl)ethenyl]benzene
SMILESO=S(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyWRVORYDZGTVRLF-VAWYXSNFSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfinyl)ethenyl]benzene?
The IUPAC name of [(E)-2-(benzenesulfinyl)ethenyl]benzene (CID 819548) is [(E)-2-(benzenesulfinyl)ethenyl]benzene.
What is the SMILES notation for [(E)-2-(benzenesulfinyl)ethenyl]benzene?
The canonical SMILES for [(E)-2-(benzenesulfinyl)ethenyl]benzene is O=S(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfinyl)ethenyl]benzene?
The InChIKey is WRVORYDZGTVRLF-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H12OS/c15-16(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+.
What are the key properties of [(E)-2-(benzenesulfinyl)ethenyl]benzene?
[(E)-2-(benzenesulfinyl)ethenyl]benzene has a molecular weight of 228.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfinyl)ethenyl]benzene is sourced from PubChem (CID 819548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).