[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine

C7H6ClF3N2S — CID 130783096

IUPAC[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1ccc(Cl)cc1SC(F)(F)F
InChIInChI=1S/C7H6ClF3N2S/c8-4-1-2-5(13-12)6(3-4)14-7(9,10)11/h1-3,13H,12H2
InChIKeyXASCAGBFJJWPGV-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.24
Rot. Bonds2

About [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine

[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 130783096) has the molecular formula C7H6ClF3N2S and a molecular weight of 242.65 g/mol. Its IUPAC name is [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID130783096
Molecular FormulaC7H6ClF3N2S
Molecular Weight242.65 g/mol
Exact Mass241.99
IUPAC Name[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1ccc(Cl)cc1SC(F)(F)F
InChIInChI=1S/C7H6ClF3N2S/c8-4-1-2-5(13-12)6(3-4)14-7(9,10)11/h1-3,13H,12H2
InChIKeyXASCAGBFJJWPGV-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.24
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

4-chloro-N-methyl-2-(trifluoromethylsulfanyl)aniline
CID 170898433
4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 14904767
[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 130849571
[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641691
(2,4-dichlorophenyl)hydrazine;methane
CID 54772277
3-hydrazinyl-4-(trifluoromethylsulfanyl)benzonitrile
CID 166641689
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline
CID 131014091
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine
CID 132608405
[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641640

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 130783096) is [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1ccc(Cl)cc1SC(F)(F)F.
What is the InChIKey of [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is XASCAGBFJJWPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2S/c8-4-1-2-5(13-12)6(3-4)14-7(9,10)11/h1-3,13H,12H2.
What are the key properties of [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 242.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 130783096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).