4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

C17H12N2OS — CID 2817305

IUPAC4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
SMILESO=C1C2=C(NC(=S)NC2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)
InChIKeyBGQSZBPWPOXQTF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.81
Rot. Bonds1

About 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 2817305) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
PubChem CID2817305
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
SMILESO=C1C2=C(NC(=S)NC2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)
InChIKeyBGQSZBPWPOXQTF-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (CID 2817305) is 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is O=C1C2=C(NC(=S)NC2c2ccccc2)c2ccccc21.
What is the InChIKey of 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The InChIKey is BGQSZBPWPOXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21).
What are the key properties of 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 292.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 2817305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).