(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite

C8H7FN3OS+ — CID 59637596

IUPAC(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite
SMILESN[n+]1onc(-c2ccccc2)c1SF
InChIInChI=1S/C8H7FN3OS/c9-14-8-7(11-13-12(8)10)6-4-2-1-3-5-6/h1-5H,10H2/q+1
InChIKeyTYAYHFGGHKNFEX-UHFFFAOYSA-N
MW212.23 g/mol
LogP1.32
Rot. Bonds2

About (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite

(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite (PubChem CID 59637596) has the molecular formula C8H7FN3OS+ and a molecular weight of 212.23 g/mol. Its IUPAC name is (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite
PubChem CID59637596
Molecular FormulaC8H7FN3OS+
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite
SMILESN[n+]1onc(-c2ccccc2)c1SF
InChIInChI=1S/C8H7FN3OS/c9-14-8-7(11-13-12(8)10)6-4-2-1-3-5-6/h1-5H,10H2/q+1
InChIKeyTYAYHFGGHKNFEX-UHFFFAOYSA-N
XLogP1.32
TPSA55.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite?
The IUPAC name of (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite (CID 59637596) is (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite.
What is the SMILES notation for (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite?
The canonical SMILES for (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite is N[n+]1onc(-c2ccccc2)c1SF.
What is the InChIKey of (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite?
The InChIKey is TYAYHFGGHKNFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN3OS/c9-14-8-7(11-13-12(8)10)6-4-2-1-3-5-6/h1-5H,10H2/q+1.
What are the key properties of (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite?
(2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite has a molecular weight of 212.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite is sourced from PubChem (CID 59637596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).