6-phenyl-2-sulfanylidene-1,3-oxazin-4-one

C10H7NO2S — CID 25132616

IUPAC6-phenyl-2-sulfanylidene-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(=S)[nH]1
InChIInChI=1S/C10H7NO2S/c12-9-6-8(13-10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,12,14)
InChIKeyUWAPOZKWRAFYKJ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.36
Rot. Bonds1

About 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one

6-phenyl-2-sulfanylidene-1,3-oxazin-4-one (PubChem CID 25132616) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-phenyl-2-sulfanylidene-1,3-oxazin-4-one
PubChem CID25132616
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name6-phenyl-2-sulfanylidene-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(=S)[nH]1
InChIInChI=1S/C10H7NO2S/c12-9-6-8(13-10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,12,14)
InChIKeyUWAPOZKWRAFYKJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one?
The IUPAC name of 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one (CID 25132616) is 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one.
What is the SMILES notation for 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one?
The canonical SMILES for 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one is O=c1cc(-c2ccccc2)oc(=S)[nH]1.
What is the InChIKey of 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one?
The InChIKey is UWAPOZKWRAFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-9-6-8(13-10(14)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,12,14).
What are the key properties of 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one?
6-phenyl-2-sulfanylidene-1,3-oxazin-4-one has a molecular weight of 205.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-sulfanylidene-1,3-oxazin-4-one is sourced from PubChem (CID 25132616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).