12H-thiochromeno[2,3-b]acridine-7,14-dione

C20H11NO2S — CID 67634698

IUPAC12H-thiochromeno[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4sc3cc12
InChIInChI=1S/C20H11NO2S/c22-19-11-5-1-3-7-15(11)21-16-9-14-18(10-13(16)19)24-17-8-4-2-6-12(17)20(14)23/h1-10H,(H,21,22)
InChIKeyPWKBNJDVPBHTMK-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.41
Rot. Bonds

About 12H-thiochromeno[2,3-b]acridine-7,14-dione

12H-thiochromeno[2,3-b]acridine-7,14-dione (PubChem CID 67634698) has the molecular formula C20H11NO2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 12H-thiochromeno[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name12H-thiochromeno[2,3-b]acridine-7,14-dione
PubChem CID67634698
Molecular FormulaC20H11NO2S
Molecular Weight329.38 g/mol
Exact Mass329.05
IUPAC Name12H-thiochromeno[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4sc3cc12
InChIInChI=1S/C20H11NO2S/c22-19-11-5-1-3-7-15(11)21-16-9-14-18(10-13(16)19)24-17-8-4-2-6-12(17)20(14)23/h1-10H,(H,21,22)
InChIKeyPWKBNJDVPBHTMK-UHFFFAOYSA-N
XLogP4.41
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12H-thiochromeno[2,3-b]acridine-7,14-dione?
The IUPAC name of 12H-thiochromeno[2,3-b]acridine-7,14-dione (CID 67634698) is 12H-thiochromeno[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 12H-thiochromeno[2,3-b]acridine-7,14-dione?
The canonical SMILES for 12H-thiochromeno[2,3-b]acridine-7,14-dione is O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4sc3cc12.
What is the InChIKey of 12H-thiochromeno[2,3-b]acridine-7,14-dione?
The InChIKey is PWKBNJDVPBHTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO2S/c22-19-11-5-1-3-7-15(11)21-16-9-14-18(10-13(16)19)24-17-8-4-2-6-12(17)20(14)23/h1-10H,(H,21,22).
What are the key properties of 12H-thiochromeno[2,3-b]acridine-7,14-dione?
12H-thiochromeno[2,3-b]acridine-7,14-dione has a molecular weight of 329.38 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-thiochromeno[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 67634698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).