phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate

C14H11FN2O2S — CID 166001600

IUPACphenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESON=C(Sc1ccccc1)C(=NO)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2S/c15-11-8-6-10(7-9-11)13(16-18)14(17-19)20-12-4-2-1-3-5-12/h1-9,18-19H
InChIKeyFOTZKHYMBSEBBC-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.58
Rot. Bonds3

About phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate

phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate (PubChem CID 166001600) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate.

Molecular Properties

Compound Namephenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate
PubChem CID166001600
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Namephenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESON=C(Sc1ccccc1)C(=NO)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2S/c15-11-8-6-10(7-9-11)13(16-18)14(17-19)20-12-4-2-1-3-5-12/h1-9,18-19H
InChIKeyFOTZKHYMBSEBBC-UHFFFAOYSA-N
XLogP3.58
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The IUPAC name of phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate (CID 166001600) is phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate.
What is the SMILES notation for phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The canonical SMILES for phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate is ON=C(Sc1ccccc1)C(=NO)c1ccc(F)cc1.
What is the InChIKey of phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The InChIKey is FOTZKHYMBSEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-11-8-6-10(7-9-11)13(16-18)14(17-19)20-12-4-2-1-3-5-12/h1-9,18-19H.
What are the key properties of phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate?
phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate has a molecular weight of 290.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-fluorophenyl)-N-hydroxy-2-hydroxyiminoethanimidothioate is sourced from PubChem (CID 166001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).