4-amino-5-ethoxy-1-benzothiophen-2-ol

C10H11NO2S — CID 130941853

IUPAC4-amino-5-ethoxy-1-benzothiophen-2-ol
SMILESCCOc1ccc2sc(O)cc2c1N
InChIInChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-6(10(7)11)5-9(12)14-8/h3-5,12H,2,11H2,1H3
InChIKeySHBKBDPXZXFIHQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.59
Rot. Bonds2

About 4-amino-5-ethoxy-1-benzothiophen-2-ol

4-amino-5-ethoxy-1-benzothiophen-2-ol (PubChem CID 130941853) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-amino-5-ethoxy-1-benzothiophen-2-ol.

Molecular Properties

Compound Name4-amino-5-ethoxy-1-benzothiophen-2-ol
PubChem CID130941853
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-amino-5-ethoxy-1-benzothiophen-2-ol
SMILESCCOc1ccc2sc(O)cc2c1N
InChIInChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-6(10(7)11)5-9(12)14-8/h3-5,12H,2,11H2,1H3
InChIKeySHBKBDPXZXFIHQ-UHFFFAOYSA-N
XLogP2.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.59
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

4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
5-ethoxy-6-iodo-1-benzothiophen-2-ol
CID 131096884
2-amino-3,6-diethoxybenzenethiol
CID 65053438
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
4-amino-2-ethoxyphenol
CID 12856010
5-amino-6-ethoxynaphthalene-2-sulfonamide
CID 154105512
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 130821366
5-ethoxy-3-fluoro-1-benzothiophen-2-ol
CID 130956912
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
sodium 5-amino-6-ethoxynaphthalene-2-sulfonate
CID 23690152

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethoxy-1-benzothiophen-2-ol?
The IUPAC name of 4-amino-5-ethoxy-1-benzothiophen-2-ol (CID 130941853) is 4-amino-5-ethoxy-1-benzothiophen-2-ol.
What is the SMILES notation for 4-amino-5-ethoxy-1-benzothiophen-2-ol?
The canonical SMILES for 4-amino-5-ethoxy-1-benzothiophen-2-ol is CCOc1ccc2sc(O)cc2c1N.
What is the InChIKey of 4-amino-5-ethoxy-1-benzothiophen-2-ol?
The InChIKey is SHBKBDPXZXFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-6(10(7)11)5-9(12)14-8/h3-5,12H,2,11H2,1H3.
What are the key properties of 4-amino-5-ethoxy-1-benzothiophen-2-ol?
4-amino-5-ethoxy-1-benzothiophen-2-ol has a molecular weight of 209.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethoxy-1-benzothiophen-2-ol is sourced from PubChem (CID 130941853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).