6-hydroxy-1-benzothiophene-2-sulfonic acid

C8H6O4S2 — CID 88601091

IUPAC6-hydroxy-1-benzothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccc(O)cc2s1
InChIInChI=1S/C8H6O4S2/c9-6-2-1-5-3-8(14(10,11)12)13-7(5)4-6/h1-4,9H,(H,10,11,12)
InChIKeyVKBYBFQLYBTNOI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.85
Rot. Bonds1

About 6-hydroxy-1-benzothiophene-2-sulfonic acid

6-hydroxy-1-benzothiophene-2-sulfonic acid (PubChem CID 88601091) has the molecular formula C8H6O4S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-hydroxy-1-benzothiophene-2-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-1-benzothiophene-2-sulfonic acid
PubChem CID88601091
Molecular FormulaC8H6O4S2
Molecular Weight230.27 g/mol
Exact Mass229.97
IUPAC Name6-hydroxy-1-benzothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2ccc(O)cc2s1
InChIInChI=1S/C8H6O4S2/c9-6-2-1-5-3-8(14(10,11)12)13-7(5)4-6/h1-4,9H,(H,10,11,12)
InChIKeyVKBYBFQLYBTNOI-UHFFFAOYSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
CID 117179768
2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol
CID 84677800
N-(6-hydroxy-1-benzothiophen-2-yl)acetamide
CID 157022042
7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160
2-phenyl-1-benzothiophen-6-ol
CID 11117751
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
2-(2-aminoethyl)-1-benzothiophen-6-ol
CID 82605292
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
6-hydroxy-2-methylnaphthalene-1-sulfonic acid
CID 147399742
2-(2-methylcyclohexyl)-1-benzothiophen-6-ol
CID 69049794
N-(2-sulfamoyl-1-benzothiophen-6-yl)acetamide
CID 14390577
(7-hydroxynaphthalen-2-yl)methanesulfonic acid
CID 175033542

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-benzothiophene-2-sulfonic acid?
The IUPAC name of 6-hydroxy-1-benzothiophene-2-sulfonic acid (CID 88601091) is 6-hydroxy-1-benzothiophene-2-sulfonic acid.
What is the SMILES notation for 6-hydroxy-1-benzothiophene-2-sulfonic acid?
The canonical SMILES for 6-hydroxy-1-benzothiophene-2-sulfonic acid is O=S(=O)(O)c1cc2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-1-benzothiophene-2-sulfonic acid?
The InChIKey is VKBYBFQLYBTNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4S2/c9-6-2-1-5-3-8(14(10,11)12)13-7(5)4-6/h1-4,9H,(H,10,11,12).
What are the key properties of 6-hydroxy-1-benzothiophene-2-sulfonic acid?
6-hydroxy-1-benzothiophene-2-sulfonic acid has a molecular weight of 230.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-benzothiophene-2-sulfonic acid is sourced from PubChem (CID 88601091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).