1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol

C8H8O3S — CID 84659617

IUPAC1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol
SMILESO=S1(=O)CCc2cc(O)ccc21
InChIInChI=1S/C8H8O3S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5,9H,3-4H2
InChIKeyBHZZTCZGCFTGGZ-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.72
Rot. Bonds

About 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol

1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol (PubChem CID 84659617) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol
PubChem CID84659617
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol
SMILESO=S1(=O)CCc2cc(O)ccc21
InChIInChI=1S/C8H8O3S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5,9H,3-4H2
InChIKeyBHZZTCZGCFTGGZ-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol (CID 84659617) is 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol is O=S1(=O)CCc2cc(O)ccc21.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol?
The InChIKey is BHZZTCZGCFTGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5,9H,3-4H2.
What are the key properties of 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol?
1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol has a molecular weight of 184.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol is sourced from PubChem (CID 84659617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).