5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde

C9H7NO2S — CID 130788583

IUPAC5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
SMILESNc1c(C=O)cc2sccc2c1O
InChIInChI=1S/C9H7NO2S/c10-8-5(4-11)3-7-6(9(8)12)1-2-13-7/h1-4,12H,10H2
InChIKeyOXRQHCMZUYQLFU-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.00
Rot. Bonds1

About 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde

5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde (PubChem CID 130788583) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde.

Molecular Properties

Compound Name5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
PubChem CID130788583
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
SMILESNc1c(C=O)cc2sccc2c1O
InChIInChI=1S/C9H7NO2S/c10-8-5(4-11)3-7-6(9(8)12)1-2-13-7/h1-4,12H,10H2
InChIKeyOXRQHCMZUYQLFU-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
4-amino-6-formyl-1-benzothiophene-5-carbonitrile
CID 131098337
6-amino-1-benzothiophene-4,5-diol
CID 84657940
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
5-amino-4-bromo-1-benzothiophen-6-ol
CID 130941897
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 130914501

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde?
The IUPAC name of 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde (CID 130788583) is 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde.
What is the SMILES notation for 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde?
The canonical SMILES for 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde is Nc1c(C=O)cc2sccc2c1O.
What is the InChIKey of 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde?
The InChIKey is OXRQHCMZUYQLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c10-8-5(4-11)3-7-6(9(8)12)1-2-13-7/h1-4,12H,10H2.
What are the key properties of 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde?
5-amino-4-hydroxy-1-benzothiophene-6-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 5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde is sourced from PubChem (CID 130788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).