3-amino-7-methoxy-1-benzothiophen-6-ol

C9H9NO2S — CID 130821156

IUPAC3-amino-7-methoxy-1-benzothiophen-6-ol
SMILESCOc1c(O)ccc2c(N)csc12
InChIInChI=1S/C9H9NO2S/c1-12-8-7(11)3-2-5-6(10)4-13-9(5)8/h2-4,11H,10H2,1H3
InChIKeyZPUWRLYZVOPONA-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds1

About 3-amino-7-methoxy-1-benzothiophen-6-ol

3-amino-7-methoxy-1-benzothiophen-6-ol (PubChem CID 130821156) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-amino-7-methoxy-1-benzothiophen-6-ol.

Molecular Properties

Compound Name3-amino-7-methoxy-1-benzothiophen-6-ol
PubChem CID130821156
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-amino-7-methoxy-1-benzothiophen-6-ol
SMILESCOc1c(O)ccc2c(N)csc12
InChIInChI=1S/C9H9NO2S/c1-12-8-7(11)3-2-5-6(10)4-13-9(5)8/h2-4,11H,10H2,1H3
InChIKeyZPUWRLYZVOPONA-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

Analyze 3-amino-7-methoxy-1-benzothiophen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-1-benzothiophen-6-ol?
The IUPAC name of 3-amino-7-methoxy-1-benzothiophen-6-ol (CID 130821156) is 3-amino-7-methoxy-1-benzothiophen-6-ol.
What is the SMILES notation for 3-amino-7-methoxy-1-benzothiophen-6-ol?
The canonical SMILES for 3-amino-7-methoxy-1-benzothiophen-6-ol is COc1c(O)ccc2c(N)csc12.
What is the InChIKey of 3-amino-7-methoxy-1-benzothiophen-6-ol?
The InChIKey is ZPUWRLYZVOPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-8-7(11)3-2-5-6(10)4-13-9(5)8/h2-4,11H,10H2,1H3.
What are the key properties of 3-amino-7-methoxy-1-benzothiophen-6-ol?
3-amino-7-methoxy-1-benzothiophen-6-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 3-amino-7-methoxy-1-benzothiophen-6-ol is sourced from PubChem (CID 130821156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).