1-(1-benzothiophen-2-yl)ethanimine

C10H9NS — CID 88963302

IUPAC1-(1-benzothiophen-2-yl)ethanimine
SMILES[H]/N=C(\C)c1cc2ccccc2s1
InChIInChI=1S/C10H9NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6,11H,1H3/b11-7+
InChIKeyLMNHFARWRVZGLV-YRNVUSSQSA-N
MW175.26 g/mol
LogP3.29
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)ethanimine

1-(1-benzothiophen-2-yl)ethanimine (PubChem CID 88963302) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)ethanimine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)ethanimine
PubChem CID88963302
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name1-(1-benzothiophen-2-yl)ethanimine
SMILES[H]/N=C(\C)c1cc2ccccc2s1
InChIInChI=1S/C10H9NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6,11H,1H3/b11-7+
InChIKeyLMNHFARWRVZGLV-YRNVUSSQSA-N
XLogP3.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)ethanimine?
The IUPAC name of 1-(1-benzothiophen-2-yl)ethanimine (CID 88963302) is 1-(1-benzothiophen-2-yl)ethanimine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)ethanimine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)ethanimine is [H]/N=C(\C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)ethanimine?
The InChIKey is LMNHFARWRVZGLV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H9NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6,11H,1H3/b11-7+.
What are the key properties of 1-(1-benzothiophen-2-yl)ethanimine?
1-(1-benzothiophen-2-yl)ethanimine has a molecular weight of 175.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)ethanimine is sourced from PubChem (CID 88963302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).