[1]benzothiolo[3,2-b]furan-3-one

C10H6O2S — CID 14958806

IUPAC[1]benzothiolo[3,2-b]furan-3-one
SMILESO=C1COc2c1sc1ccccc21
InChIInChI=1S/C10H6O2S/c11-7-5-12-9-6-3-1-2-4-8(6)13-10(7)9/h1-4H,5H2
InChIKeyUFLGUZJHUYKRGB-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.48
Rot. Bonds

About [1]benzothiolo[3,2-b]furan-3-one

[1]benzothiolo[3,2-b]furan-3-one (PubChem CID 14958806) has the molecular formula C10H6O2S and a molecular weight of 190.22 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b]furan-3-one.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b]furan-3-one
PubChem CID14958806
Molecular FormulaC10H6O2S
Molecular Weight190.22 g/mol
Exact Mass190.01
IUPAC Name[1]benzothiolo[3,2-b]furan-3-one
SMILESO=C1COc2c1sc1ccccc21
InChIInChI=1S/C10H6O2S/c11-7-5-12-9-6-3-1-2-4-8(6)13-10(7)9/h1-4H,5H2
InChIKeyUFLGUZJHUYKRGB-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b]furan-3-one?
The IUPAC name of [1]benzothiolo[3,2-b]furan-3-one (CID 14958806) is [1]benzothiolo[3,2-b]furan-3-one.
What is the SMILES notation for [1]benzothiolo[3,2-b]furan-3-one?
The canonical SMILES for [1]benzothiolo[3,2-b]furan-3-one is O=C1COc2c1sc1ccccc21.
What is the InChIKey of [1]benzothiolo[3,2-b]furan-3-one?
The InChIKey is UFLGUZJHUYKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S/c11-7-5-12-9-6-3-1-2-4-8(6)13-10(7)9/h1-4H,5H2.
What are the key properties of [1]benzothiolo[3,2-b]furan-3-one?
[1]benzothiolo[3,2-b]furan-3-one has a molecular weight of 190.22 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b]furan-3-one is sourced from PubChem (CID 14958806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).