6-amino-4-methoxy-1-benzothiophen-5-ol

C9H9NO2S — CID 84666228

IUPAC6-amino-4-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(O)c(N)cc2sccc12
InChIInChI=1S/C9H9NO2S/c1-12-9-5-2-3-13-7(5)4-6(10)8(9)11/h2-4,11H,10H2,1H3
InChIKeyYXLNSQOGYKJOBV-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds1

About 6-amino-4-methoxy-1-benzothiophen-5-ol

6-amino-4-methoxy-1-benzothiophen-5-ol (PubChem CID 84666228) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-amino-4-methoxy-1-benzothiophen-5-ol.

Molecular Properties

Compound Name6-amino-4-methoxy-1-benzothiophen-5-ol
PubChem CID84666228
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-amino-4-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(O)c(N)cc2sccc12
InChIInChI=1S/C9H9NO2S/c1-12-9-5-2-3-13-7(5)4-6(10)8(9)11/h2-4,11H,10H2,1H3
InChIKeyYXLNSQOGYKJOBV-UHFFFAOYSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-benzothiophene-4,5-diol
CID 84657940
6-amino-2,3-dimethoxy-4-methylphenol
CID 84658981
5-bromo-6-iodo-4-methoxy-1-benzothiophene
CID 131059967
6-amino-4-methoxy-1-methylindol-5-ol
CID 84663887
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
2-methoxy-5-[(E)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]aniline;hydrochloride
CID 25131182
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940
5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
CID 117367799
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methoxy-1-benzothiophen-5-ol?
The IUPAC name of 6-amino-4-methoxy-1-benzothiophen-5-ol (CID 84666228) is 6-amino-4-methoxy-1-benzothiophen-5-ol.
What is the SMILES notation for 6-amino-4-methoxy-1-benzothiophen-5-ol?
The canonical SMILES for 6-amino-4-methoxy-1-benzothiophen-5-ol is COc1c(O)c(N)cc2sccc12.
What is the InChIKey of 6-amino-4-methoxy-1-benzothiophen-5-ol?
The InChIKey is YXLNSQOGYKJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-9-5-2-3-13-7(5)4-6(10)8(9)11/h2-4,11H,10H2,1H3.
What are the key properties of 6-amino-4-methoxy-1-benzothiophen-5-ol?
6-amino-4-methoxy-1-benzothiophen-5-ol has a molecular weight of 195.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methoxy-1-benzothiophen-5-ol is sourced from PubChem (CID 84666228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).