azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)

C9H6F4N2SW — CID 143923810

IUPACazanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)
SMILESFc1ccc(C2=CN2[S-])c(C(F)(F)F)c1.[NH2-].[W+2]
InChIInChI=1S/C9H4F4NS.H2N.W/c10-5-1-2-6(8-4-14(8)15)7(3-5)9(11,12)13;;/h1-4H;1H2;/q2*-1;+2
InChIKeyNOLCMNDAEVIMBD-UHFFFAOYSA-N
MW434.06 g/mol
LogP3.63
Rot. Bonds1

About azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)

azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+) (PubChem CID 143923810) has the molecular formula C9H6F4N2SW and a molecular weight of 434.06 g/mol. Its IUPAC name is azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+).

Molecular Properties

Compound Nameazanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)
PubChem CID143923810
Molecular FormulaC9H6F4N2SW
Molecular Weight434.06 g/mol
Exact Mass433.97
IUPAC Nameazanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)
SMILESFc1ccc(C2=CN2[S-])c(C(F)(F)F)c1.[NH2-].[W+2]
InChIInChI=1S/C9H4F4NS.H2N.W/c10-5-1-2-6(8-4-14(8)15)7(3-5)9(11,12)13;;/h1-4H;1H2;/q2*-1;+2
InChIKeyNOLCMNDAEVIMBD-UHFFFAOYSA-N
XLogP3.63
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.06
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)?
The IUPAC name of azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+) (CID 143923810) is azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+).
What is the SMILES notation for azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)?
The canonical SMILES for azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+) is Fc1ccc(C2=CN2[S-])c(C(F)(F)F)c1.[NH2-].[W+2].
What is the InChIKey of azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)?
The InChIKey is NOLCMNDAEVIMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4NS.H2N.W/c10-5-1-2-6(8-4-14(8)15)7(3-5)9(11,12)13;;/h1-4H;1H2;/q2*-1;+2.
What are the key properties of azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+)?
azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+) has a molecular weight of 434.06 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-sulfidoazirine;tungsten(2+) is sourced from PubChem (CID 143923810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).