(2-oxochromen-6-yl)oxy thiohypofluorite

C9H5FO3S — CID 155149522

IUPAC(2-oxochromen-6-yl)oxy thiohypofluorite
SMILESO=c1ccc2cc(OSF)ccc2o1
InChIInChI=1S/C9H5FO3S/c10-14-13-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKeyZALBSGSPQKOGHX-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.70
Rot. Bonds2

About (2-oxochromen-6-yl)oxy thiohypofluorite

(2-oxochromen-6-yl)oxy thiohypofluorite (PubChem CID 155149522) has the molecular formula C9H5FO3S and a molecular weight of 212.20 g/mol. Its IUPAC name is (2-oxochromen-6-yl)oxy thiohypofluorite.

Molecular Properties

Compound Name(2-oxochromen-6-yl)oxy thiohypofluorite
PubChem CID155149522
Molecular FormulaC9H5FO3S
Molecular Weight212.20 g/mol
Exact Mass211.99
IUPAC Name(2-oxochromen-6-yl)oxy thiohypofluorite
SMILESO=c1ccc2cc(OSF)ccc2o1
InChIInChI=1S/C9H5FO3S/c10-14-13-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKeyZALBSGSPQKOGHX-UHFFFAOYSA-N
XLogP2.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxochromen-6-yl)oxy thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-6-yl)oxy thiohypofluorite?
The IUPAC name of (2-oxochromen-6-yl)oxy thiohypofluorite (CID 155149522) is (2-oxochromen-6-yl)oxy thiohypofluorite.
What is the SMILES notation for (2-oxochromen-6-yl)oxy thiohypofluorite?
The canonical SMILES for (2-oxochromen-6-yl)oxy thiohypofluorite is O=c1ccc2cc(OSF)ccc2o1.
What is the InChIKey of (2-oxochromen-6-yl)oxy thiohypofluorite?
The InChIKey is ZALBSGSPQKOGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3S/c10-14-13-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H.
What are the key properties of (2-oxochromen-6-yl)oxy thiohypofluorite?
(2-oxochromen-6-yl)oxy thiohypofluorite has a molecular weight of 212.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-6-yl)oxy thiohypofluorite is sourced from PubChem (CID 155149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).