[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride

C9H13BrCl2N2S — CID 22735657

IUPAC[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cc(Br)ccc1SCCCCl
InChIInChI=1S/C9H12BrClN2S.ClH/c10-7-2-3-9(8(6-7)13-12)14-5-1-4-11;/h2-3,6,13H,1,4-5,12H2;1H
InChIKeyWEMIGXRBKGSUKR-UHFFFAOYSA-N
MW332.09 g/mol
LogP3.88
Rot. Bonds5

About [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride

[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride (PubChem CID 22735657) has the molecular formula C9H13BrCl2N2S and a molecular weight of 332.09 g/mol. Its IUPAC name is [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride
PubChem CID22735657
Molecular FormulaC9H13BrCl2N2S
Molecular Weight332.09 g/mol
Exact Mass329.94
IUPAC Name[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cc(Br)ccc1SCCCCl
InChIInChI=1S/C9H12BrClN2S.ClH/c10-7-2-3-9(8(6-7)13-12)14-5-1-4-11;/h2-3,6,13H,1,4-5,12H2;1H
InChIKeyWEMIGXRBKGSUKR-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride (CID 22735657) is [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride is Cl.NNc1cc(Br)ccc1SCCCCl.
What is the InChIKey of [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride?
The InChIKey is WEMIGXRBKGSUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2S.ClH/c10-7-2-3-9(8(6-7)13-12)14-5-1-4-11;/h2-3,6,13H,1,4-5,12H2;1H.
What are the key properties of [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride?
[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride has a molecular weight of 332.09 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 22735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).