[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine

C9H14Br2N2OS — CID 107970665

IUPAC[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C9H14Br2N2OS/c1-14-4-2-3-7(13-12)6-5-8(10)15-9(6)11/h5,7,13H,2-4,12H2,1H3
InChIKeyNVCHCUPLRKHEGU-UHFFFAOYSA-N
MW358.10 g/mol
LogP3.20
Rot. Bonds6

About [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine

[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine (PubChem CID 107970665) has the molecular formula C9H14Br2N2OS and a molecular weight of 358.10 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
PubChem CID107970665
Molecular FormulaC9H14Br2N2OS
Molecular Weight358.10 g/mol
Exact Mass355.92
IUPAC Name[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C9H14Br2N2OS/c1-14-4-2-3-7(13-12)6-5-8(10)15-9(6)11/h5,7,13H,2-4,12H2,1H3
InChIKeyNVCHCUPLRKHEGU-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine
CID 107969328
[1-(5-bromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 105342588
[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105342587
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 107970529
1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
CID 107970024
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[2-(2-bromophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]hydrazine
CID 107970051
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine (CID 107970665) is [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine is COCCCC(NN)c1cc(Br)sc1Br.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine?
The InChIKey is NVCHCUPLRKHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2N2OS/c1-14-4-2-3-7(13-12)6-5-8(10)15-9(6)11/h5,7,13H,2-4,12H2,1H3.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine?
[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine has a molecular weight of 358.10 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 107970665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).