5-amino-6-methyl-1-benzothiophen-2-ol

C9H9NOS — CID 130788839

IUPAC5-amino-6-methyl-1-benzothiophen-2-ol
SMILESCc1cc2sc(O)cc2cc1N
InChIInChI=1S/C9H9NOS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4,11H,10H2,1H3
InChIKeyUQBLHWLIBQFVFJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds

About 5-amino-6-methyl-1-benzothiophen-2-ol

5-amino-6-methyl-1-benzothiophen-2-ol (PubChem CID 130788839) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-amino-6-methyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5-amino-6-methyl-1-benzothiophen-2-ol
PubChem CID130788839
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name5-amino-6-methyl-1-benzothiophen-2-ol
SMILESCc1cc2sc(O)cc2cc1N
InChIInChI=1S/C9H9NOS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4,11H,10H2,1H3
InChIKeyUQBLHWLIBQFVFJ-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-1-benzothiophen-2-ol?
The IUPAC name of 5-amino-6-methyl-1-benzothiophen-2-ol (CID 130788839) is 5-amino-6-methyl-1-benzothiophen-2-ol.
What is the SMILES notation for 5-amino-6-methyl-1-benzothiophen-2-ol?
The canonical SMILES for 5-amino-6-methyl-1-benzothiophen-2-ol is Cc1cc2sc(O)cc2cc1N.
What is the InChIKey of 5-amino-6-methyl-1-benzothiophen-2-ol?
The InChIKey is UQBLHWLIBQFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4,11H,10H2,1H3.
What are the key properties of 5-amino-6-methyl-1-benzothiophen-2-ol?
5-amino-6-methyl-1-benzothiophen-2-ol has a molecular weight of 179.24 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130788839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).