[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine

C12H12BrClN2S — CID 105295531

IUPAC[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
SMILESNNC(Cc1cccs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H12BrClN2S/c13-10-4-3-8(6-11(10)14)12(16-15)7-9-2-1-5-17-9/h1-6,12,16H,7,15H2
InChIKeyYLAWNWVQHRDVOJ-UHFFFAOYSA-N
MW331.67 g/mol
LogP3.91
Rot. Bonds4

About [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine

[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine (PubChem CID 105295531) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
PubChem CID105295531
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
SMILESNNC(Cc1cccs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H12BrClN2S/c13-10-4-3-8(6-11(10)14)12(16-15)7-9-2-1-5-17-9/h1-6,12,16H,7,15H2
InChIKeyYLAWNWVQHRDVOJ-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 53.91
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'}

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Related Compounds

[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317536
[1-(4-bromo-3-chlorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342880
[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
CID 105291718
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
[1-(4-bromo-3-chlorophenyl)-2-methoxyethyl]hydrazine
CID 105321658
[1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413118
(1-pyridin-4-yl-2-thiophen-2-ylethyl)hydrazine
CID 105196601
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
[1-(2-chloro-4-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 106859801

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine (CID 105295531) is [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine is NNC(Cc1cccs1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine?
The InChIKey is YLAWNWVQHRDVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c13-10-4-3-8(6-11(10)14)12(16-15)7-9-2-1-5-17-9/h1-6,12,16H,7,15H2.
What are the key properties of [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine?
[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine has a molecular weight of 331.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine is sourced from PubChem (CID 105295531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).