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

C11H6O3S — CID 595557

IUPAC5-hydroxybenzo[g][1,3]benzoxathiol-2-one
SMILESO=c1oc2c(cc(O)c3ccccc32)s1
InChIInChI=1S/C11H6O3S/c12-8-5-9-10(14-11(13)15-9)7-4-2-1-3-6(7)8/h1-5,12H
InChIKeyBHVUYDKBLZOWEY-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.71
Rot. Bonds

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

5-hydroxybenzo[g][1,3]benzoxathiol-2-one (PubChem CID 595557) has the molecular formula C11H6O3S and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-hydroxybenzo[g][1,3]benzoxathiol-2-one.

Molecular Properties

Compound Name5-hydroxybenzo[g][1,3]benzoxathiol-2-one
PubChem CID595557
Molecular FormulaC11H6O3S
Molecular Weight218.23 g/mol
Exact Mass218.00
IUPAC Name5-hydroxybenzo[g][1,3]benzoxathiol-2-one
SMILESO=c1oc2c(cc(O)c3ccccc32)s1
InChIInChI=1S/C11H6O3S/c12-8-5-9-10(14-11(13)15-9)7-4-2-1-3-6(7)8/h1-5,12H
InChIKeyBHVUYDKBLZOWEY-UHFFFAOYSA-N
XLogP2.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The IUPAC name of 5-hydroxybenzo[g][1,3]benzoxathiol-2-one (CID 595557) is 5-hydroxybenzo[g][1,3]benzoxathiol-2-one.
What is the SMILES notation for 5-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The canonical SMILES for 5-hydroxybenzo[g][1,3]benzoxathiol-2-one is O=c1oc2c(cc(O)c3ccccc32)s1.
What is the InChIKey of 5-hydroxybenzo[g][1,3]benzoxathiol-2-one?
The InChIKey is BHVUYDKBLZOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O3S/c12-8-5-9-10(14-11(13)15-9)7-4-2-1-3-6(7)8/h1-5,12H.
What are the key properties of 5-hydroxybenzo[g][1,3]benzoxathiol-2-one?
5-hydroxybenzo[g][1,3]benzoxathiol-2-one has a molecular weight of 218.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxybenzo[g][1,3]benzoxathiol-2-one is sourced from PubChem (CID 595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).