6-phenylsulfanyl-2H-pyran-5-one

C11H10O2S — CID 86074276

IUPAC6-phenylsulfanyl-2H-pyran-5-one
SMILESO=C1C=CCOC1Sc1ccccc1
InChIInChI=1S/C11H10O2S/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyBTHQKRZPMGAKGL-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.26
Rot. Bonds2

About 6-phenylsulfanyl-2H-pyran-5-one

6-phenylsulfanyl-2H-pyran-5-one (PubChem CID 86074276) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-phenylsulfanyl-2H-pyran-5-one.

Molecular Properties

Compound Name6-phenylsulfanyl-2H-pyran-5-one
PubChem CID86074276
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name6-phenylsulfanyl-2H-pyran-5-one
SMILESO=C1C=CCOC1Sc1ccccc1
InChIInChI=1S/C11H10O2S/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyBTHQKRZPMGAKGL-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-2H-pyran-5-one?
The IUPAC name of 6-phenylsulfanyl-2H-pyran-5-one (CID 86074276) is 6-phenylsulfanyl-2H-pyran-5-one.
What is the SMILES notation for 6-phenylsulfanyl-2H-pyran-5-one?
The canonical SMILES for 6-phenylsulfanyl-2H-pyran-5-one is O=C1C=CCOC1Sc1ccccc1.
What is the InChIKey of 6-phenylsulfanyl-2H-pyran-5-one?
The InChIKey is BTHQKRZPMGAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-7,11H,8H2.
What are the key properties of 6-phenylsulfanyl-2H-pyran-5-one?
6-phenylsulfanyl-2H-pyran-5-one has a molecular weight of 206.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-2H-pyran-5-one is sourced from PubChem (CID 86074276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).