naphtho[2,3-b]thioxanthene-7,12,14-trione

C21H10O3S — CID 71049201

IUPACnaphtho[2,3-b]thioxanthene-7,12,14-trione
SMILESO=C1c2ccccc2C(=O)c2cc3c(=O)c4ccccc4sc3cc21
InChIInChI=1S/C21H10O3S/c22-19-11-5-1-2-6-12(11)20(23)15-10-18-16(9-14(15)19)21(24)13-7-3-4-8-17(13)25-18/h1-10H
InChIKeyKLWRKYNRCHYAPW-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.19
Rot. Bonds

About naphtho[2,3-b]thioxanthene-7,12,14-trione

naphtho[2,3-b]thioxanthene-7,12,14-trione (PubChem CID 71049201) has the molecular formula C21H10O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is naphtho[2,3-b]thioxanthene-7,12,14-trione.

Molecular Properties

Compound Namenaphtho[2,3-b]thioxanthene-7,12,14-trione
PubChem CID71049201
Molecular FormulaC21H10O3S
Molecular Weight342.38 g/mol
Exact Mass342.04
IUPAC Namenaphtho[2,3-b]thioxanthene-7,12,14-trione
SMILESO=C1c2ccccc2C(=O)c2cc3c(=O)c4ccccc4sc3cc21
InChIInChI=1S/C21H10O3S/c22-19-11-5-1-2-6-12(11)20(23)15-10-18-16(9-14(15)19)21(24)13-7-3-4-8-17(13)25-18/h1-10H
InChIKeyKLWRKYNRCHYAPW-UHFFFAOYSA-N
XLogP4.19
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-b]thioxanthene-7,12,14-trione?
The IUPAC name of naphtho[2,3-b]thioxanthene-7,12,14-trione (CID 71049201) is naphtho[2,3-b]thioxanthene-7,12,14-trione.
What is the SMILES notation for naphtho[2,3-b]thioxanthene-7,12,14-trione?
The canonical SMILES for naphtho[2,3-b]thioxanthene-7,12,14-trione is O=C1c2ccccc2C(=O)c2cc3c(=O)c4ccccc4sc3cc21.
What is the InChIKey of naphtho[2,3-b]thioxanthene-7,12,14-trione?
The InChIKey is KLWRKYNRCHYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10O3S/c22-19-11-5-1-2-6-12(11)20(23)15-10-18-16(9-14(15)19)21(24)13-7-3-4-8-17(13)25-18/h1-10H.
What are the key properties of naphtho[2,3-b]thioxanthene-7,12,14-trione?
naphtho[2,3-b]thioxanthene-7,12,14-trione has a molecular weight of 342.38 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-b]thioxanthene-7,12,14-trione is sourced from PubChem (CID 71049201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).