3-(benzenesulfinyl)propa-1,2-dienylbenzene

C15H12OS — CID 71447124

IUPAC3-(benzenesulfinyl)propa-1,2-dienylbenzene
SMILESO=S(C=C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-17(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-13H
InChIKeyWXXJIBIWMGYCAR-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.62
Rot. Bonds3

About 3-(benzenesulfinyl)propa-1,2-dienylbenzene

3-(benzenesulfinyl)propa-1,2-dienylbenzene (PubChem CID 71447124) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(benzenesulfinyl)propa-1,2-dienylbenzene.

Molecular Properties

Compound Name3-(benzenesulfinyl)propa-1,2-dienylbenzene
PubChem CID71447124
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name3-(benzenesulfinyl)propa-1,2-dienylbenzene
SMILESO=S(C=C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-17(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-13H
InChIKeyWXXJIBIWMGYCAR-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

propa-1,2-dienylsulfinylbenzene
CID 11367191
hepta-1,2-dienylsulfinylbenzene
CID 11470056
benzenesulfinylformaldehyde
CID 174391009
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
sodium 3-phenylpropa-1,2-diene-1-sulfonate
CID 23666256
1-[4-(3-phenylpropa-1,2-dienyl)phenyl]ethanone
CID 102318435
N-(3-phenylpropa-1,2-dienyl)aniline
CID 176540019
1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 101460715
4-phenylbuta-1,2,3-trien-1-amine
CID 88847251
(E)-4-(benzenesulfinyl)-3-bromo-2-methylbut-3-en-2-ol
CID 134935679
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)propa-1,2-dienylbenzene?
The IUPAC name of 3-(benzenesulfinyl)propa-1,2-dienylbenzene (CID 71447124) is 3-(benzenesulfinyl)propa-1,2-dienylbenzene.
What is the SMILES notation for 3-(benzenesulfinyl)propa-1,2-dienylbenzene?
The canonical SMILES for 3-(benzenesulfinyl)propa-1,2-dienylbenzene is O=S(C=C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)propa-1,2-dienylbenzene?
The InChIKey is WXXJIBIWMGYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c16-17(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-13H.
What are the key properties of 3-(benzenesulfinyl)propa-1,2-dienylbenzene?
3-(benzenesulfinyl)propa-1,2-dienylbenzene has a molecular weight of 240.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)propa-1,2-dienylbenzene is sourced from PubChem (CID 71447124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).