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

C9H9NO2S — CID 130792504

IUPAC3-amino-4-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(O)ccc2scc(N)c12
InChIInChI=1S/C9H9NO2S/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4,11H,10H2,1H3
InChIKeyAWPDXZQKCHMSDG-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds1

About 3-amino-4-methoxy-1-benzothiophen-5-ol

3-amino-4-methoxy-1-benzothiophen-5-ol (PubChem CID 130792504) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-amino-4-methoxy-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-1-benzothiophen-5-ol
PubChem CID130792504
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-amino-4-methoxy-1-benzothiophen-5-ol
SMILESCOc1c(O)ccc2scc(N)c12
InChIInChI=1S/C9H9NO2S/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4,11H,10H2,1H3
InChIKeyAWPDXZQKCHMSDG-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

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Related Compounds

3-amino-7-methoxy-1-benzothiophen-6-ol
CID 130821156
2-(3-amino-5-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131060134
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
3,5-dichloro-4-methoxy-1-benzothiophene
CID 130865286
4-bromo-3-methyl-1-benzothiophen-5-ol
CID 131096785
5-bromo-3-(chloromethyl)-4-methoxy-1-benzothiophene
CID 130884238
3-hydroxy-5-methoxy-1-benzothiophene-4-carbaldehyde
CID 130913403
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
4-bromo-3-methyl-1-benzothiophen-5-amine
CID 130909893
3-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131075761
3-amino-6-fluoro-1-benzothiophen-4-ol
CID 130956346

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-1-benzothiophen-5-ol?
The IUPAC name of 3-amino-4-methoxy-1-benzothiophen-5-ol (CID 130792504) is 3-amino-4-methoxy-1-benzothiophen-5-ol.
What is the SMILES notation for 3-amino-4-methoxy-1-benzothiophen-5-ol?
The canonical SMILES for 3-amino-4-methoxy-1-benzothiophen-5-ol is COc1c(O)ccc2scc(N)c12.
What is the InChIKey of 3-amino-4-methoxy-1-benzothiophen-5-ol?
The InChIKey is AWPDXZQKCHMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4,11H,10H2,1H3.
What are the key properties of 3-amino-4-methoxy-1-benzothiophen-5-ol?
3-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 3-amino-4-methoxy-1-benzothiophen-5-ol is sourced from PubChem (CID 130792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).