1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine

C8H8Br2N2S — CID 107970024

IUPAC1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2N2S/c1-2-3-6(12-11)5-4-7(9)13-8(5)10/h1,4,6,12H,3,11H2
InChIKeySXUZMOPPFSSYTQ-UHFFFAOYSA-N
MW324.04 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine

1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine (PubChem CID 107970024) has the molecular formula C8H8Br2N2S and a molecular weight of 324.04 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
PubChem CID107970024
Molecular FormulaC8H8Br2N2S
Molecular Weight324.04 g/mol
Exact Mass321.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2N2S/c1-2-3-6(12-11)5-4-7(9)13-8(5)10/h1,4,6,12H,3,11H2
InChIKeySXUZMOPPFSSYTQ-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.04
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681
[2-(2-bromophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]hydrazine
CID 107970051
[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 107970665
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 107970668
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 107970529
[1-(2,5-dibromothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970504
[1-(2,5-dibromothiophen-3-yl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107970134
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387
1-(2-bromo-5-methoxyphenyl)but-3-ynylhydrazine
CID 105281554
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 107970127
1-(4-bromo-3-methylphenyl)but-3-ynylhydrazine
CID 105281427

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine (CID 107970024) is 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine is C#CCC(NN)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine?
The InChIKey is SXUZMOPPFSSYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2S/c1-2-3-6(12-11)5-4-7(9)13-8(5)10/h1,4,6,12H,3,11H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine?
1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine has a molecular weight of 324.04 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)but-3-ynylhydrazine is sourced from PubChem (CID 107970024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).