bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine

C10H9F3N4S — CID 68817533

IUPACbis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine
SMILESC#N.C#N.NN=Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2S.2CHN/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;2*1-2/h1-5H,12H2;2*1H
InChIKeyUYBOCXHPSFHBBG-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.87
Rot. Bonds2

About bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine

bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine (PubChem CID 68817533) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Namebis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine
PubChem CID68817533
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Namebis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine
SMILESC#N.C#N.NN=Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2S.2CHN/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;2*1-2/h1-5H,12H2;2*1H
InChIKeyUYBOCXHPSFHBBG-UHFFFAOYSA-N
XLogP2.87
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine?
The IUPAC name of bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine (CID 68817533) is bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine.
What is the SMILES notation for bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine?
The canonical SMILES for bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine is C#N.C#N.NN=Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine?
The InChIKey is UYBOCXHPSFHBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2S.2CHN/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;2*1-2/h1-5H,12H2;2*1H.
What are the key properties of bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine?
bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine has a molecular weight of 274.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 68817533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).