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

C8H6BrNOS — CID 130941897

IUPAC5-amino-4-bromo-1-benzothiophen-6-ol
SMILESNc1c(O)cc2sccc2c1Br
InChIInChI=1S/C8H6BrNOS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3,11H,10H2
InChIKeyIRYLCEPGMFDECE-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.95
Rot. Bonds

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

5-amino-4-bromo-1-benzothiophen-6-ol (PubChem CID 130941897) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-amino-4-bromo-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-amino-4-bromo-1-benzothiophen-6-ol
PubChem CID130941897
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-amino-4-bromo-1-benzothiophen-6-ol
SMILESNc1c(O)cc2sccc2c1Br
InChIInChI=1S/C8H6BrNOS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3,11H,10H2
InChIKeyIRYLCEPGMFDECE-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
4,6-dibromo-1-benzothiophen-5-ol
CID 59580169
4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 130914501
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
4-iodo-1-benzothiophene-5,6-diol
CID 131034090
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
6-amino-1-benzothiophene-4,5-diol
CID 84657940
5-bromo-1-benzothiophen-4-amine
CID 82373133
5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130788583
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
4-bromo-5-ethoxy-6-fluoro-1-benzothiophene
CID 130898443

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-1-benzothiophen-6-ol?
The IUPAC name of 5-amino-4-bromo-1-benzothiophen-6-ol (CID 130941897) is 5-amino-4-bromo-1-benzothiophen-6-ol.
What is the SMILES notation for 5-amino-4-bromo-1-benzothiophen-6-ol?
The canonical SMILES for 5-amino-4-bromo-1-benzothiophen-6-ol is Nc1c(O)cc2sccc2c1Br.
What is the InChIKey of 5-amino-4-bromo-1-benzothiophen-6-ol?
The InChIKey is IRYLCEPGMFDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3,11H,10H2.
What are the key properties of 5-amino-4-bromo-1-benzothiophen-6-ol?
5-amino-4-bromo-1-benzothiophen-6-ol has a molecular weight of 244.11 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-1-benzothiophen-6-ol is sourced from PubChem (CID 130941897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).