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

C12H12BrClN2S — CID 105196835

IUPAC[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)c1ccsc1
InChIInChI=1S/C12H12BrClN2S/c13-10-2-1-8(11(14)6-10)5-12(16-15)9-3-4-17-7-9/h1-4,6-7,12,16H,5,15H2
InChIKeyYSQUKESKQOROTH-UHFFFAOYSA-N
MW331.67 g/mol
LogP3.91
Rot. Bonds4

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

[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine (PubChem CID 105196835) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
PubChem CID105196835
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)c1ccsc1
InChIInChI=1S/C12H12BrClN2S/c13-10-2-1-8(11(14)6-10)5-12(16-15)9-3-4-17-7-9/h1-4,6-7,12,16H,5,15H2
InChIKeyYSQUKESKQOROTH-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

[2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196675
[2-(4-bromo-2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252774
4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335141
[2-(3,4-dichlorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196704
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105335217
3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335162
[1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107978987
[2-(4-bromo-2-chlorophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105191998
[2-(4-bromo-2-chlorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105335235
[1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
CID 105335248
[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105335194
[2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethyl]hydrazine
CID 114030639

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine (CID 105196835) is [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine is NNC(Cc1ccc(Br)cc1Cl)c1ccsc1.
What is the InChIKey of [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine?
The InChIKey is YSQUKESKQOROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c13-10-2-1-8(11(14)6-10)5-12(16-15)9-3-4-17-7-9/h1-4,6-7,12,16H,5,15H2.
What are the key properties of [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine?
[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-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 [2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine is sourced from PubChem (CID 105196835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).