7-iodo-1-benzothiophene-2,3-diol

C8H5IO2S — CID 131215768

IUPAC7-iodo-1-benzothiophene-2,3-diol
SMILESOc1sc2c(I)cccc2c1O
InChIInChI=1S/C8H5IO2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3,10-11H
InChIKeyGYYTVBSNDFTZQY-UHFFFAOYSA-N
MW292.10 g/mol
LogP2.92
Rot. Bonds

About 7-iodo-1-benzothiophene-2,3-diol

7-iodo-1-benzothiophene-2,3-diol (PubChem CID 131215768) has the molecular formula C8H5IO2S and a molecular weight of 292.10 g/mol. Its IUPAC name is 7-iodo-1-benzothiophene-2,3-diol.

Molecular Properties

Compound Name7-iodo-1-benzothiophene-2,3-diol
PubChem CID131215768
Molecular FormulaC8H5IO2S
Molecular Weight292.10 g/mol
Exact Mass291.91
IUPAC Name7-iodo-1-benzothiophene-2,3-diol
SMILESOc1sc2c(I)cccc2c1O
InChIInChI=1S/C8H5IO2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3,10-11H
InChIKeyGYYTVBSNDFTZQY-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,7-diiodo-3-methyl-1-benzothiophene
CID 130914423
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
7-ethyl-2-iodo-1-benzothiophen-3-ol
CID 130825583
2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130970896
2-(chloromethyl)-7-iodo-1-benzothiophene-3-thiol
CID 130988103
2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130885028
3-bromo-7-iodo-1-benzothiophene
CID 119083473
7-iodo-2-methyl-3-nitro-1-benzothiophene
CID 130805542
2-ethoxy-7-iodo-1-benzothiophene-3-thiol
CID 130898611
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
CID 155601525
CID 155601525
2-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130969357

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-benzothiophene-2,3-diol?
The IUPAC name of 7-iodo-1-benzothiophene-2,3-diol (CID 131215768) is 7-iodo-1-benzothiophene-2,3-diol.
What is the SMILES notation for 7-iodo-1-benzothiophene-2,3-diol?
The canonical SMILES for 7-iodo-1-benzothiophene-2,3-diol is Oc1sc2c(I)cccc2c1O.
What is the InChIKey of 7-iodo-1-benzothiophene-2,3-diol?
The InChIKey is GYYTVBSNDFTZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IO2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3,10-11H.
What are the key properties of 7-iodo-1-benzothiophene-2,3-diol?
7-iodo-1-benzothiophene-2,3-diol has a molecular weight of 292.10 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-benzothiophene-2,3-diol is sourced from PubChem (CID 131215768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).