(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

C8H8O3S — CID 94848528

IUPAC(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)C[C@@H](O)c2ccccc21
InChIInChI=1S/C8H8O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7,9H,5H2/t7-/m1/s1
InChIKeyRVSZMOUZQCRNKH-SSDOTTSWSA-N
MW184.22 g/mol
LogP0.51
Rot. Bonds

About (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (PubChem CID 94848528) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
PubChem CID94848528
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)C[C@@H](O)c2ccccc21
InChIInChI=1S/C8H8O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7,9H,5H2/t7-/m1/s1
InChIKeyRVSZMOUZQCRNKH-SSDOTTSWSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The IUPAC name of (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (CID 94848528) is (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.
What is the SMILES notation for (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The canonical SMILES for (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is O=S1(=O)C[C@@H](O)c2ccccc21.
What is the InChIKey of (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The InChIKey is RVSZMOUZQCRNKH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7,9H,5H2/t7-/m1/s1.
What are the key properties of (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol has a molecular weight of 184.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is sourced from PubChem (CID 94848528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).