1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone

C19H14N2OS — CID 892806

IUPAC1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H14N2OS/c22-18(12-23-19-20-8-3-9-21-19)14-6-7-17-15(11-14)10-13-4-1-2-5-16(13)17/h1-9,11H,10,12H2
InChIKeyWAHLZLQQVAHSKK-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.02
Rot. Bonds4

About 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone

1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone (PubChem CID 892806) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone
PubChem CID892806
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H14N2OS/c22-18(12-23-19-20-8-3-9-21-19)14-6-7-17-15(11-14)10-13-4-1-2-5-16(13)17/h1-9,11H,10,12H2
InChIKeyWAHLZLQQVAHSKK-UHFFFAOYSA-N
XLogP4.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone (CID 892806) is 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone is O=C(CSc1ncccn1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
The InChIKey is WAHLZLQQVAHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-18(12-23-19-20-8-3-9-21-19)14-6-7-17-15(11-14)10-13-4-1-2-5-16(13)17/h1-9,11H,10,12H2.
What are the key properties of 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone?
1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone has a molecular weight of 318.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-pyrimidin-2-ylsulfanylethanone is sourced from PubChem (CID 892806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).