1-benzothiophen-7-amine

C8H7NS — CID 14765536

IUPAC1-benzothiophen-7-amine
SMILESNc1cccc2ccsc12
InChIInChI=1S/C8H7NS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H,9H2
InChIKeyXATYIBVSSKQMDX-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.48
Rot. Bonds

About 1-benzothiophen-7-amine

1-benzothiophen-7-amine (PubChem CID 14765536) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-benzothiophen-7-amine.

Molecular Properties

Compound Name1-benzothiophen-7-amine
PubChem CID14765536
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name1-benzothiophen-7-amine
SMILESNc1cccc2ccsc12
InChIInChI=1S/C8H7NS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H,9H2
InChIKeyXATYIBVSSKQMDX-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-amine?
The IUPAC name of 1-benzothiophen-7-amine (CID 14765536) is 1-benzothiophen-7-amine.
What is the SMILES notation for 1-benzothiophen-7-amine?
The canonical SMILES for 1-benzothiophen-7-amine is Nc1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-amine?
The InChIKey is XATYIBVSSKQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H,9H2.
What are the key properties of 1-benzothiophen-7-amine?
1-benzothiophen-7-amine has a molecular weight of 149.22 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-amine is sourced from PubChem (CID 14765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).