4-amino-1-benzothiophen-7-ol

C8H7NOS — CID 54042760

IUPAC4-amino-1-benzothiophen-7-ol
SMILESNc1ccc(O)c2sccc12
InChIInChI=1S/C8H7NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,10H,9H2
InChIKeyLNMOORJOEKESKJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.19
Rot. Bonds

About 4-amino-1-benzothiophen-7-ol

4-amino-1-benzothiophen-7-ol (PubChem CID 54042760) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-amino-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-amino-1-benzothiophen-7-ol
PubChem CID54042760
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name4-amino-1-benzothiophen-7-ol
SMILESNc1ccc(O)c2sccc12
InChIInChI=1S/C8H7NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,10H,9H2
InChIKeyLNMOORJOEKESKJ-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-benzothiophen-7-ol
CID 119095255
4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
CID 130883199
5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
CID 131080368
6-amino-7-sulfanyl-1-benzothiophen-4-ol
CID 130971932
1,9-diaminodibenzothiophene-4,6-diol
CID 68825078
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-amino-5-sulfanyl-1-benzothiophen-4-ol
CID 130792503
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
4-methylidenephosphanyl-1-benzothiophen-7-amine
CID 174291567
3-amino-7-methyl-1-benzothiophen-6-ol
CID 131096676
4-amino-7-methyl-1-benzothiophene-6-carboxylic acid
CID 131076269

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzothiophen-7-ol?
The IUPAC name of 4-amino-1-benzothiophen-7-ol (CID 54042760) is 4-amino-1-benzothiophen-7-ol.
What is the SMILES notation for 4-amino-1-benzothiophen-7-ol?
The canonical SMILES for 4-amino-1-benzothiophen-7-ol is Nc1ccc(O)c2sccc12.
What is the InChIKey of 4-amino-1-benzothiophen-7-ol?
The InChIKey is LNMOORJOEKESKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,10H,9H2.
What are the key properties of 4-amino-1-benzothiophen-7-ol?
4-amino-1-benzothiophen-7-ol has a molecular weight of 165.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzothiophen-7-ol is sourced from PubChem (CID 54042760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).