cyclopent-2-en-1-ylsulfinylbenzene

C11H12OS — CID 131853878

IUPACcyclopent-2-en-1-ylsulfinylbenzene
SMILESO=S(c1ccccc1)C1C=CCC1
InChIInChI=1S/C11H12OS/c12-13(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2
InChIKeyRVPQMUULWJTZCN-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.51
Rot. Bonds2

About cyclopent-2-en-1-ylsulfinylbenzene

cyclopent-2-en-1-ylsulfinylbenzene (PubChem CID 131853878) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclopent-2-en-1-ylsulfinylbenzene.

Molecular Properties

Compound Namecyclopent-2-en-1-ylsulfinylbenzene
PubChem CID131853878
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Namecyclopent-2-en-1-ylsulfinylbenzene
SMILESO=S(c1ccccc1)C1C=CCC1
InChIInChI=1S/C11H12OS/c12-13(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2
InChIKeyRVPQMUULWJTZCN-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-ylsulfinylbenzene?
The IUPAC name of cyclopent-2-en-1-ylsulfinylbenzene (CID 131853878) is cyclopent-2-en-1-ylsulfinylbenzene.
What is the SMILES notation for cyclopent-2-en-1-ylsulfinylbenzene?
The canonical SMILES for cyclopent-2-en-1-ylsulfinylbenzene is O=S(c1ccccc1)C1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-ylsulfinylbenzene?
The InChIKey is RVPQMUULWJTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-13(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2.
What are the key properties of cyclopent-2-en-1-ylsulfinylbenzene?
cyclopent-2-en-1-ylsulfinylbenzene has a molecular weight of 192.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-ylsulfinylbenzene is sourced from PubChem (CID 131853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).