1,2-benzothiazol-3-yl hypoiodite

C7H4INOS — CID 163610026

IUPAC1,2-benzothiazol-3-yl hypoiodite
SMILESIOc1nsc2ccccc12
InChIInChI=1S/C7H4INOS/c8-10-7-5-3-1-2-4-6(5)11-9-7/h1-4H
InChIKeyHFCRLYKMNCIJAU-UHFFFAOYSA-N
MW277.09 g/mol
LogP3.03
Rot. Bonds1

About 1,2-benzothiazol-3-yl hypoiodite

1,2-benzothiazol-3-yl hypoiodite (PubChem CID 163610026) has the molecular formula C7H4INOS and a molecular weight of 277.09 g/mol. Its IUPAC name is 1,2-benzothiazol-3-yl hypoiodite.

Molecular Properties

Compound Name1,2-benzothiazol-3-yl hypoiodite
PubChem CID163610026
Molecular FormulaC7H4INOS
Molecular Weight277.09 g/mol
Exact Mass276.91
IUPAC Name1,2-benzothiazol-3-yl hypoiodite
SMILESIOc1nsc2ccccc12
InChIInChI=1S/C7H4INOS/c8-10-7-5-3-1-2-4-6(5)11-9-7/h1-4H
InChIKeyHFCRLYKMNCIJAU-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-benzothiazol-3-yl hypoiodite 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 1,2-benzothiazol-3-yl hypoiodite?
The IUPAC name of 1,2-benzothiazol-3-yl hypoiodite (CID 163610026) is 1,2-benzothiazol-3-yl hypoiodite.
What is the SMILES notation for 1,2-benzothiazol-3-yl hypoiodite?
The canonical SMILES for 1,2-benzothiazol-3-yl hypoiodite is IOc1nsc2ccccc12.
What is the InChIKey of 1,2-benzothiazol-3-yl hypoiodite?
The InChIKey is HFCRLYKMNCIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INOS/c8-10-7-5-3-1-2-4-6(5)11-9-7/h1-4H.
What are the key properties of 1,2-benzothiazol-3-yl hypoiodite?
1,2-benzothiazol-3-yl hypoiodite has a molecular weight of 277.09 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazol-3-yl hypoiodite is sourced from PubChem (CID 163610026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).