(4-oxothiochromen-2-yl) thiohypoiodite

C9H5IOS2 — CID 166441146

IUPAC(4-oxothiochromen-2-yl) thiohypoiodite
SMILESO=c1cc(SI)sc2ccccc12
InChIInChI=1S/C9H5IOS2/c10-13-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H
InChIKeyFAJAWFIBBVMJSY-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.70
Rot. Bonds1

About (4-oxothiochromen-2-yl) thiohypoiodite

(4-oxothiochromen-2-yl) thiohypoiodite (PubChem CID 166441146) has the molecular formula C9H5IOS2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (4-oxothiochromen-2-yl) thiohypoiodite.

Molecular Properties

Compound Name(4-oxothiochromen-2-yl) thiohypoiodite
PubChem CID166441146
Molecular FormulaC9H5IOS2
Molecular Weight320.18 g/mol
Exact Mass319.88
IUPAC Name(4-oxothiochromen-2-yl) thiohypoiodite
SMILESO=c1cc(SI)sc2ccccc12
InChIInChI=1S/C9H5IOS2/c10-13-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H
InChIKeyFAJAWFIBBVMJSY-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-oxothiochromen-2-yl) thiohypoiodite with MolForge

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

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)thiochromen-4-one
CID 66937671
2-pyrrol-1-ylthiochromen-4-one
CID 10955299
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylthiochromen-4-one
CID 166441148
2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one
CID 11100273
2-(furan-2-yl)thiochromen-4-one
CID 154715436
dibenzothiophene;formaldehyde
CID 20556925
2-hexylthiochromen-4-one
CID 102347360
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
2-(2-amino-4,5-dimethoxyphenyl)thiochromen-4-one
CID 101013886
dibenzothiophene;methane
CID 162233710
CID 166441145
CID 166441145
[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
CID 174853567

Frequently Asked Questions

What is the IUPAC name of (4-oxothiochromen-2-yl) thiohypoiodite?
The IUPAC name of (4-oxothiochromen-2-yl) thiohypoiodite (CID 166441146) is (4-oxothiochromen-2-yl) thiohypoiodite.
What is the SMILES notation for (4-oxothiochromen-2-yl) thiohypoiodite?
The canonical SMILES for (4-oxothiochromen-2-yl) thiohypoiodite is O=c1cc(SI)sc2ccccc12.
What is the InChIKey of (4-oxothiochromen-2-yl) thiohypoiodite?
The InChIKey is FAJAWFIBBVMJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IOS2/c10-13-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H.
What are the key properties of (4-oxothiochromen-2-yl) thiohypoiodite?
(4-oxothiochromen-2-yl) thiohypoiodite has a molecular weight of 320.18 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxothiochromen-2-yl) thiohypoiodite is sourced from PubChem (CID 166441146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).