(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine

C9H12BrNOS — CID 6375274

IUPAC(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine
SMILESCCO/N=C(/CC)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-3-7(11-12-4-2)8-5-6-9(10)13-8/h5-6H,3-4H2,1-2H3/b11-7-
InChIKeyBUNIMHCQAOEESB-XFFZJAGNSA-N
MW262.17 g/mol
LogP3.66
Rot. Bonds4

About (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine

(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine (PubChem CID 6375274) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine.

Molecular Properties

Compound Name(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine
PubChem CID6375274
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine
SMILESCCO/N=C(/CC)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-3-7(11-12-4-2)8-5-6-9(10)13-8/h5-6H,3-4H2,1-2H3/b11-7-
InChIKeyBUNIMHCQAOEESB-XFFZJAGNSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.66
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 (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine?
The IUPAC name of (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine (CID 6375274) is (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine.
What is the SMILES notation for (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine?
The canonical SMILES for (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine is CCO/N=C(/CC)c1ccc(Br)s1.
What is the InChIKey of (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine?
The InChIKey is BUNIMHCQAOEESB-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-3-7(11-12-4-2)8-5-6-9(10)13-8/h5-6H,3-4H2,1-2H3/b11-7-.
What are the key properties of (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine?
(Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine has a molecular weight of 262.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-bromothiophen-2-yl)-N-ethoxypropan-1-imine is sourced from PubChem (CID 6375274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).