5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one

C11H7NO3S — CID 89343437

IUPAC5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one
SMILESNc1cc2sc(=O)oc2c2cccc(O)c12
InChIInChI=1S/C11H7NO3S/c12-6-4-8-10(15-11(14)16-8)5-2-1-3-7(13)9(5)6/h1-4,13H,12H2
InChIKeyXUGBLOYGOANUQO-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.30
Rot. Bonds

About 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one

5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one (PubChem CID 89343437) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one.

Molecular Properties

Compound Name5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one
PubChem CID89343437
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one
SMILESNc1cc2sc(=O)oc2c2cccc(O)c12
InChIInChI=1S/C11H7NO3S/c12-6-4-8-10(15-11(14)16-8)5-2-1-3-7(13)9(5)6/h1-4,13H,12H2
InChIKeyXUGBLOYGOANUQO-UHFFFAOYSA-N
XLogP2.30
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)benzenesulfonamide
CID 992616
4-fluoro-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)benzenesulfonamide
CID 1079380
N-(6,7-dimethyl-2-oxo-1,3-benzoxathiol-5-yl)-benzenesulfonamide
CID 129741371
N-(6,7-dimethyl-2-oxo-1,3-benzoxathiol-5-yl)-4-methylbenzenesulfonamide
CID 129741585
N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)naphthalene-2-sulfonamide
CID 992606
N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 992618
4-methyl-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide
CID 2058936
N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzenesulfonamide
CID 4438749
4-ethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
CID 4438750
2,5-dimethoxy-N-(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)benzene-1-sulfonamide
CID 18559045
5-Aminonaphtho[2,1-g][1,3]benzoxathiol-2-one
CID 89343385
5-Aminonaphtho[2,3-g][1,3]benzoxathiol-2-one
CID 89343386

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The IUPAC name of 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one (CID 89343437) is 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one.
What is the SMILES notation for 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The canonical SMILES for 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one is Nc1cc2sc(=O)oc2c2cccc(O)c12.
What is the InChIKey of 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The InChIKey is XUGBLOYGOANUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c12-6-4-8-10(15-11(14)16-8)5-2-1-3-7(13)9(5)6/h1-4,13H,12H2.
What are the key properties of 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one?
5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one has a molecular weight of 233.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-hydroxybenzo[g][1,3]benzoxathiol-2-one is sourced from PubChem (CID 89343437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).