2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine

C9H11BrClNOS — CID 152580867

IUPAC2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine
SMILESCC(C)ON=CCc1sc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNOS/c1-6(2)13-12-4-3-8-7(11)5-9(10)14-8/h4-6H,3H2,1-2H3
InChIKeyYTLDXNYLBFGCLZ-UHFFFAOYSA-N
MW296.62 g/mol
LogP4.12
Rot. Bonds4

About 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine

2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine (PubChem CID 152580867) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine.

Molecular Properties

Compound Name2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine
PubChem CID152580867
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine
SMILESCC(C)ON=CCc1sc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNOS/c1-6(2)13-12-4-3-8-7(11)5-9(10)14-8/h4-6H,3H2,1-2H3
InChIKeyYTLDXNYLBFGCLZ-UHFFFAOYSA-N
XLogP4.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 54.12
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-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine?
The IUPAC name of 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine (CID 152580867) is 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine.
What is the SMILES notation for 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine?
The canonical SMILES for 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine is CC(C)ON=CCc1sc(Br)cc1Cl.
What is the InChIKey of 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine?
The InChIKey is YTLDXNYLBFGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-6(2)13-12-4-3-8-7(11)5-9(10)14-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine?
2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine has a molecular weight of 296.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine is sourced from PubChem (CID 152580867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).