[2-(phenyliminomethyl)phenoxy] thiohypofluorite

C13H10FNOS — CID 118561769

IUPAC[2-(phenyliminomethyl)phenoxy] thiohypofluorite
SMILESFSOc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C13H10FNOS/c14-17-16-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H/b15-10+
InChIKeyKDYDDZAAJDSAQI-XNTDXEJSSA-N
MW247.29 g/mol
LogP4.35
Rot. Bonds4

About [2-(phenyliminomethyl)phenoxy] thiohypofluorite

[2-(phenyliminomethyl)phenoxy] thiohypofluorite (PubChem CID 118561769) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(phenyliminomethyl)phenoxy] thiohypofluorite.

Molecular Properties

Compound Name[2-(phenyliminomethyl)phenoxy] thiohypofluorite
PubChem CID118561769
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name[2-(phenyliminomethyl)phenoxy] thiohypofluorite
SMILESFSOc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C13H10FNOS/c14-17-16-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H/b15-10+
InChIKeyKDYDDZAAJDSAQI-XNTDXEJSSA-N
XLogP4.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(phenyliminomethyl)phenoxy] thiohypofluorite?
The IUPAC name of [2-(phenyliminomethyl)phenoxy] thiohypofluorite (CID 118561769) is [2-(phenyliminomethyl)phenoxy] thiohypofluorite.
What is the SMILES notation for [2-(phenyliminomethyl)phenoxy] thiohypofluorite?
The canonical SMILES for [2-(phenyliminomethyl)phenoxy] thiohypofluorite is FSOc1ccccc1/C=N/c1ccccc1.
What is the InChIKey of [2-(phenyliminomethyl)phenoxy] thiohypofluorite?
The InChIKey is KDYDDZAAJDSAQI-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-17-16-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-10H/b15-10+.
What are the key properties of [2-(phenyliminomethyl)phenoxy] thiohypofluorite?
[2-(phenyliminomethyl)phenoxy] thiohypofluorite has a molecular weight of 247.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenyliminomethyl)phenoxy] thiohypofluorite is sourced from PubChem (CID 118561769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).