1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one

C11H13OPS — CID 614145

IUPAC1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one
SMILESO=C1CCP(=S)(c2ccccc2)CC1
InChIInChI=1S/C11H13OPS/c12-10-6-8-13(14,9-7-10)11-4-2-1-3-5-11/h1-5H,6-9H2
InChIKeyHLBMCZKPIOSSBS-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.15
Rot. Bonds1

About 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one

1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one (PubChem CID 614145) has the molecular formula C11H13OPS and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one.

Molecular Properties

Compound Name1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one
PubChem CID614145
Molecular FormulaC11H13OPS
Molecular Weight224.27 g/mol
Exact Mass224.04
IUPAC Name1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one
SMILESO=C1CCP(=S)(c2ccccc2)CC1
InChIInChI=1S/C11H13OPS/c12-10-6-8-13(14,9-7-10)11-4-2-1-3-5-11/h1-5H,6-9H2
InChIKeyHLBMCZKPIOSSBS-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one?
The IUPAC name of 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one (CID 614145) is 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one.
What is the SMILES notation for 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one?
The canonical SMILES for 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one is O=C1CCP(=S)(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one?
The InChIKey is HLBMCZKPIOSSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OPS/c12-10-6-8-13(14,9-7-10)11-4-2-1-3-5-11/h1-5H,6-9H2.
What are the key properties of 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one?
1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one has a molecular weight of 224.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-sulfanylidene-1lambda5-phosphinan-4-one is sourced from PubChem (CID 614145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).