4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde

C9H7NO2S — CID 130855197

IUPAC4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
SMILESNc1c(C=O)cc(O)c2sccc12
InChIInChI=1S/C9H7NO2S/c10-8-5(4-11)3-7(12)9-6(8)1-2-13-9/h1-4,12H,10H2
InChIKeyMUUYGZZZDJCJGA-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.00
Rot. Bonds1

About 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde

4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde (PubChem CID 130855197) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
PubChem CID130855197
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
SMILESNc1c(C=O)cc(O)c2sccc12
InChIInChI=1S/C9H7NO2S/c10-8-5(4-11)3-7(12)9-6(8)1-2-13-9/h1-4,12H,10H2
InChIKeyMUUYGZZZDJCJGA-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130788583
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130866354
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
5-(chloromethyl)-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130898631
4-amino-1-benzothiophen-7-ol
CID 54042760
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde (CID 130855197) is 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde is Nc1c(C=O)cc(O)c2sccc12.
What is the InChIKey of 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde?
The InChIKey is MUUYGZZZDJCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c10-8-5(4-11)3-7(12)9-6(8)1-2-13-9/h1-4,12H,10H2.
What are the key properties of 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde?
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde has a molecular weight of 193.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130855197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).