pent-4-enylsulfinylbenzene

C11H14OS — CID 15893040

IUPACpent-4-enylsulfinylbenzene
SMILESC=CCCCS(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h2,4-6,8-9H,1,3,7,10H2
InChIKeyKFHFQHDAOIEWGY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.76
Rot. Bonds5

About pent-4-enylsulfinylbenzene

pent-4-enylsulfinylbenzene (PubChem CID 15893040) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is pent-4-enylsulfinylbenzene.

Molecular Properties

Compound Namepent-4-enylsulfinylbenzene
PubChem CID15893040
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Namepent-4-enylsulfinylbenzene
SMILESC=CCCCS(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h2,4-6,8-9H,1,3,7,10H2
InChIKeyKFHFQHDAOIEWGY-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[(R)-hex-5-ynylsulfinyl]benzene
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CID 14906269
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CID 11728197
5,5,7,7-tetramethyloctylsulfinylbenzene
CID 143236575
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Frequently Asked Questions

What is the IUPAC name of pent-4-enylsulfinylbenzene?
The IUPAC name of pent-4-enylsulfinylbenzene (CID 15893040) is pent-4-enylsulfinylbenzene.
What is the SMILES notation for pent-4-enylsulfinylbenzene?
The canonical SMILES for pent-4-enylsulfinylbenzene is C=CCCCS(=O)c1ccccc1.
What is the InChIKey of pent-4-enylsulfinylbenzene?
The InChIKey is KFHFQHDAOIEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-3-7-10-13(12)11-8-5-4-6-9-11/h2,4-6,8-9H,1,3,7,10H2.
What are the key properties of pent-4-enylsulfinylbenzene?
pent-4-enylsulfinylbenzene has a molecular weight of 194.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enylsulfinylbenzene is sourced from PubChem (CID 15893040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).