5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione

C15H7NO4S — CID 174744854

IUPAC5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione
SMILESO=C1c2c(O)cccc2C(=O)c2c1c(O)cc1ncsc21
InChIInChI=1S/C15H7NO4S/c17-8-3-1-2-6-10(8)14(20)11-9(18)4-7-15(21-5-16-7)12(11)13(6)19/h1-5,17-18H
InChIKeyHZHSBWXPSKDKLX-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.48
Rot. Bonds

About 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione

5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione (PubChem CID 174744854) has the molecular formula C15H7NO4S and a molecular weight of 297.29 g/mol. Its IUPAC name is 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione.

Molecular Properties

Compound Name5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione
PubChem CID174744854
Molecular FormulaC15H7NO4S
Molecular Weight297.29 g/mol
Exact Mass297.01
IUPAC Name5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione
SMILESO=C1c2c(O)cccc2C(=O)c2c1c(O)cc1ncsc21
InChIInChI=1S/C15H7NO4S/c17-8-3-1-2-6-10(8)14(20)11-9(18)4-7-15(21-5-16-7)12(11)13(6)19/h1-5,17-18H
InChIKeyHZHSBWXPSKDKLX-UHFFFAOYSA-N
XLogP2.48
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione?
The IUPAC name of 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione (CID 174744854) is 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione.
What is the SMILES notation for 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione?
The canonical SMILES for 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione is O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1ncsc21.
What is the InChIKey of 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione?
The InChIKey is HZHSBWXPSKDKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7NO4S/c17-8-3-1-2-6-10(8)14(20)11-9(18)4-7-15(21-5-16-7)12(11)13(6)19/h1-5,17-18H.
What are the key properties of 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione?
5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione has a molecular weight of 297.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxynaphtho[3,2-g][1,3]benzothiazole-6,11-dione is sourced from PubChem (CID 174744854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).