2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one

C12H12N2O2S — CID 110189709

IUPAC2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one
SMILESO=C1C2COCCN2C(=S)N1c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-11-10-8-16-7-6-13(10)12(17)14(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyASSMRTBRIVOUMK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.02
Rot. Bonds1

About 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one

2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one (PubChem CID 110189709) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one
PubChem CID110189709
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one
SMILESO=C1C2COCCN2C(=S)N1c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-11-10-8-16-7-6-13(10)12(17)14(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyASSMRTBRIVOUMK-UHFFFAOYSA-N
XLogP1.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
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 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one?
The IUPAC name of 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one (CID 110189709) is 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one.
What is the SMILES notation for 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one?
The canonical SMILES for 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one is O=C1C2COCCN2C(=S)N1c1ccccc1.
What is the InChIKey of 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one?
The InChIKey is ASSMRTBRIVOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11-10-8-16-7-6-13(10)12(17)14(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one?
2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one has a molecular weight of 248.31 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 110189709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).