2-(5-chlorothiophen-2-yl)-N-methoxyethanimine

C7H8ClNOS — CID 54386150

IUPAC2-(5-chlorothiophen-2-yl)-N-methoxyethanimine
SMILESCON=CCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-3,5H,4H2,1H3
InChIKeyVDJSMKIZBSNZMV-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.58
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine

2-(5-chlorothiophen-2-yl)-N-methoxyethanimine (PubChem CID 54386150) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methoxyethanimine
PubChem CID54386150
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methoxyethanimine
SMILESCON=CCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-3,5H,4H2,1H3
InChIKeyVDJSMKIZBSNZMV-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine (CID 54386150) is 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine is CON=CCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine?
The InChIKey is VDJSMKIZBSNZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-3,5H,4H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine?
2-(5-chlorothiophen-2-yl)-N-methoxyethanimine has a molecular weight of 189.67 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methoxyethanimine is sourced from PubChem (CID 54386150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).