4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine

C9H11Br2NOS — CID 163212355

IUPAC4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine
SMILESCON=C(CCCBr)c1ccc(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-13-12-7(3-2-6-10)8-4-5-9(11)14-8/h4-5H,2-3,6H2,1H3
InChIKeyPTXJZBGIZBKVEX-UHFFFAOYSA-N
MW341.07 g/mol
LogP4.04
Rot. Bonds5

About 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine

4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine (PubChem CID 163212355) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine.

Molecular Properties

Compound Name4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine
PubChem CID163212355
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine
SMILESCON=C(CCCBr)c1ccc(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-13-12-7(3-2-6-10)8-4-5-9(11)14-8/h4-5H,2-3,6H2,1H3
InChIKeyPTXJZBGIZBKVEX-UHFFFAOYSA-N
XLogP4.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Z-1-(5-Bromo-thiophen-2-yl)-ethanone oxime
CID 5847250
1-(5-Bromo-2-thienyl)-1-propanone O-ethyloxime
CID 6375274
1-(5-Bromo-2-thienyl)-1-propanone oxime
CID 6375867
(Z)-(5-Bromo-2-thienyl)ethanone oxime
CID 6370937
(NE)-N-[1-(3,5-dibromothiophen-2-yl)ethylidene]hydroxylamine
CID 14113370
2-Bromo-5-acetyl thiophene oxime
CID 3510072
(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine
CID 58368772
1-(5-bromothiophen-2-yl)-N-methylethanimine
CID 85573857
3-(5-Bromothiophen-2-yl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 89272385
3-(5-Bromothiophen-2-yl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 91403844
(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine
CID 142837240
(NE)-N-[1-(5-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 156495790

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine?
The IUPAC name of 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine (CID 163212355) is 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine.
What is the SMILES notation for 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine?
The canonical SMILES for 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine is CON=C(CCCBr)c1ccc(Br)s1.
What is the InChIKey of 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine?
The InChIKey is PTXJZBGIZBKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c1-13-12-7(3-2-6-10)8-4-5-9(11)14-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine?
4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine has a molecular weight of 341.07 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine is sourced from PubChem (CID 163212355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).