4-amino-6-methoxy-1-benzothiophen-2-ol

C9H9NO2S — CID 130821157

IUPAC4-amino-6-methoxy-1-benzothiophen-2-ol
SMILESCOc1cc(N)c2cc(O)sc2c1
InChIInChI=1S/C9H9NO2S/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4,11H,10H2,1H3
InChIKeyCNEWIFRZEIWZRK-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds1

About 4-amino-6-methoxy-1-benzothiophen-2-ol

4-amino-6-methoxy-1-benzothiophen-2-ol (PubChem CID 130821157) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-amino-6-methoxy-1-benzothiophen-2-ol.

Molecular Properties

Compound Name4-amino-6-methoxy-1-benzothiophen-2-ol
PubChem CID130821157
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-amino-6-methoxy-1-benzothiophen-2-ol
SMILESCOc1cc(N)c2cc(O)sc2c1
InChIInChI=1S/C9H9NO2S/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4,11H,10H2,1H3
InChIKeyCNEWIFRZEIWZRK-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'}

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Related Compounds

2-chloro-6-methoxy-1,3-benzothiazol-4-amine
CID 53412789
2-iodo-6-methoxy-1-benzothiophene-4-thiol
CID 131190913
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 130821366
6-methoxy-1H-indazol-4-amine
CID 24729622
2,5-dimethoxy-3-propan-2-ylaniline
CID 84666265
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
5-amino-6-methyl-1-benzothiophen-2-ol
CID 130788839
6-amino-5-methyl-1-benzothiophen-2-ol
CID 130788844
(3,5-dimethoxyphenyl)phosphane
CID 23215298
3-amino-5-methoxyphenol;hydrochloride
CID 75480347

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-1-benzothiophen-2-ol?
The IUPAC name of 4-amino-6-methoxy-1-benzothiophen-2-ol (CID 130821157) is 4-amino-6-methoxy-1-benzothiophen-2-ol.
What is the SMILES notation for 4-amino-6-methoxy-1-benzothiophen-2-ol?
The canonical SMILES for 4-amino-6-methoxy-1-benzothiophen-2-ol is COc1cc(N)c2cc(O)sc2c1.
What is the InChIKey of 4-amino-6-methoxy-1-benzothiophen-2-ol?
The InChIKey is CNEWIFRZEIWZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4,11H,10H2,1H3.
What are the key properties of 4-amino-6-methoxy-1-benzothiophen-2-ol?
4-amino-6-methoxy-1-benzothiophen-2-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 4-amino-6-methoxy-1-benzothiophen-2-ol is sourced from PubChem (CID 130821157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).