2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile

C10H4ClF3N4S — CID 169338100

IUPAC2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H4ClF3N4S/c11-8-2-1-7(19-10(12,13)14)3-9(8)18-17-6(4-15)5-16/h1-3,18H
InChIKeyRFDBDAAGULQXJH-UHFFFAOYSA-N
MW304.68 g/mol
LogP3.77
Rot. Bonds3

About 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338100) has the molecular formula C10H4ClF3N4S and a molecular weight of 304.68 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338100
Molecular FormulaC10H4ClF3N4S
Molecular Weight304.68 g/mol
Exact Mass303.98
IUPAC Name2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H4ClF3N4S/c11-8-2-1-7(19-10(12,13)14)3-9(8)18-17-6(4-15)5-16/h1-3,18H
InChIKeyRFDBDAAGULQXJH-UHFFFAOYSA-N
XLogP3.77
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338543
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341832
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339282
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
methyl (2Z)-2-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
CID 138395565

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile (CID 169338100) is 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(SC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is RFDBDAAGULQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4S/c11-8-2-1-7(19-10(12,13)14)3-9(8)18-17-6(4-15)5-16/h1-3,18H.
What are the key properties of 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 304.68 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).