1-sulfanyl-10,10a-dihydro-1H-acridin-2-one

C13H11NOS — CID 87475109

IUPAC1-sulfanyl-10,10a-dihydro-1H-acridin-2-one
SMILESO=C1C=CC2=C(C=C3C=CC=CC3N2)C1S
InChIInChI=1S/C13H11NOS/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,10,13-14,16H
InChIKeyQEJCJPFXQGNUTQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.70
Rot. Bonds

About 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one

1-sulfanyl-10,10a-dihydro-1H-acridin-2-one (PubChem CID 87475109) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one.

Molecular Properties

Compound Name1-sulfanyl-10,10a-dihydro-1H-acridin-2-one
PubChem CID87475109
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name1-sulfanyl-10,10a-dihydro-1H-acridin-2-one
SMILESO=C1C=CC2=C(C=C3C=CC=CC3N2)C1S
InChIInChI=1S/C13H11NOS/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,10,13-14,16H
InChIKeyQEJCJPFXQGNUTQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one?
The IUPAC name of 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one (CID 87475109) is 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one.
What is the SMILES notation for 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one?
The canonical SMILES for 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one is O=C1C=CC2=C(C=C3C=CC=CC3N2)C1S.
What is the InChIKey of 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one?
The InChIKey is QEJCJPFXQGNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-7,10,13-14,16H.
What are the key properties of 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one?
1-sulfanyl-10,10a-dihydro-1H-acridin-2-one has a molecular weight of 229.30 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-10,10a-dihydro-1H-acridin-2-one is sourced from PubChem (CID 87475109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).