cyclohexen-1-yl(oxo)sulfanium

C6H9OS+ — CID 174565891

IUPACcyclohexen-1-yl(oxo)sulfanium
SMILESO=[S+]C1=CCCCC1
InChIInChI=1S/C6H9OS/c7-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1
InChIKeyAZDMHTRCCWYFPS-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.87
Rot. Bonds1

About cyclohexen-1-yl(oxo)sulfanium

cyclohexen-1-yl(oxo)sulfanium (PubChem CID 174565891) has the molecular formula C6H9OS+ and a molecular weight of 129.20 g/mol. Its IUPAC name is cyclohexen-1-yl(oxo)sulfanium.

Molecular Properties

Compound Namecyclohexen-1-yl(oxo)sulfanium
PubChem CID174565891
Molecular FormulaC6H9OS+
Molecular Weight129.20 g/mol
Exact Mass129.04
IUPAC Namecyclohexen-1-yl(oxo)sulfanium
SMILESO=[S+]C1=CCCCC1
InChIInChI=1S/C6H9OS/c7-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1
InChIKeyAZDMHTRCCWYFPS-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(oxo)sulfanium?
The IUPAC name of cyclohexen-1-yl(oxo)sulfanium (CID 174565891) is cyclohexen-1-yl(oxo)sulfanium.
What is the SMILES notation for cyclohexen-1-yl(oxo)sulfanium?
The canonical SMILES for cyclohexen-1-yl(oxo)sulfanium is O=[S+]C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl(oxo)sulfanium?
The InChIKey is AZDMHTRCCWYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OS/c7-8-6-4-2-1-3-5-6/h4H,1-3,5H2/q+1.
What are the key properties of cyclohexen-1-yl(oxo)sulfanium?
cyclohexen-1-yl(oxo)sulfanium has a molecular weight of 129.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(oxo)sulfanium is sourced from PubChem (CID 174565891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).