naphtho[3,2-e][1]benzothiole-6,11-dione

C16H8O2S — CID 12744370

IUPACnaphtho[3,2-e][1]benzothiole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1sccc21
InChIInChI=1S/C16H8O2S/c17-15-9-3-1-2-4-10(9)16(18)14-11-7-8-19-13(11)6-5-12(14)15/h1-8H
InChIKeyWTKWXGRVAFJBEY-UHFFFAOYSA-N
MW264.31 g/mol
LogP3.68
Rot. Bonds

About naphtho[3,2-e][1]benzothiole-6,11-dione

naphtho[3,2-e][1]benzothiole-6,11-dione (PubChem CID 12744370) has the molecular formula C16H8O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is naphtho[3,2-e][1]benzothiole-6,11-dione.

Molecular Properties

Compound Namenaphtho[3,2-e][1]benzothiole-6,11-dione
PubChem CID12744370
Molecular FormulaC16H8O2S
Molecular Weight264.31 g/mol
Exact Mass264.02
IUPAC Namenaphtho[3,2-e][1]benzothiole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1sccc21
InChIInChI=1S/C16H8O2S/c17-15-9-3-1-2-4-10(9)16(18)14-11-7-8-19-13(11)6-5-12(14)15/h1-8H
InChIKeyWTKWXGRVAFJBEY-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphtho[3,2-e][1]benzothiole-6,11-dione?
The IUPAC name of naphtho[3,2-e][1]benzothiole-6,11-dione (CID 12744370) is naphtho[3,2-e][1]benzothiole-6,11-dione.
What is the SMILES notation for naphtho[3,2-e][1]benzothiole-6,11-dione?
The canonical SMILES for naphtho[3,2-e][1]benzothiole-6,11-dione is O=C1c2ccccc2C(=O)c2c1ccc1sccc21.
What is the InChIKey of naphtho[3,2-e][1]benzothiole-6,11-dione?
The InChIKey is WTKWXGRVAFJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O2S/c17-15-9-3-1-2-4-10(9)16(18)14-11-7-8-19-13(11)6-5-12(14)15/h1-8H.
What are the key properties of naphtho[3,2-e][1]benzothiole-6,11-dione?
naphtho[3,2-e][1]benzothiole-6,11-dione has a molecular weight of 264.31 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[3,2-e][1]benzothiole-6,11-dione is sourced from PubChem (CID 12744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).