[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride

C7H8ClF3N2S — CID 24820215

IUPAC[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2S.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
InChIKeyCTYHWWILICBYGZ-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.01
Rot. Bonds2

About [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride

[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride (PubChem CID 24820215) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride
PubChem CID24820215
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2S.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
InChIKeyCTYHWWILICBYGZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride (CID 24820215) is [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride?
The InChIKey is CTYHWWILICBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H.
What are the key properties of [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride?
[4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride has a molecular weight of 244.67 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfanyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 24820215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).