[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine

C12H16BrClN2S — CID 105255480

IUPAC[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)C1CCCS1
InChIInChI=1S/C12H16BrClN2S/c13-9-4-3-8(10(14)7-9)6-11(16-15)12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,15H2
InChIKeyQGNHEWPPDFLDOA-UHFFFAOYSA-N
MW335.70 g/mol
LogP3.37
Rot. Bonds4

About [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine

[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine (PubChem CID 105255480) has the molecular formula C12H16BrClN2S and a molecular weight of 335.70 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
PubChem CID105255480
Molecular FormulaC12H16BrClN2S
Molecular Weight335.70 g/mol
Exact Mass333.99
IUPAC Name[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)C1CCCS1
InChIInChI=1S/C12H16BrClN2S/c13-9-4-3-8(10(14)7-9)6-11(16-15)12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,15H2
InChIKeyQGNHEWPPDFLDOA-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 53.37
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-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
CID 105224772
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004984

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine (CID 105255480) is [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)cc1Cl)C1CCCS1.
What is the InChIKey of [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine?
The InChIKey is QGNHEWPPDFLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2S/c13-9-4-3-8(10(14)7-9)6-11(16-15)12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,15H2.
What are the key properties of [2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine?
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine has a molecular weight of 335.70 g/mol, XLogP of 3.37, 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-(thiolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105255480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).