Iodine

CAS 7553-56-2  ·  I2  ·  MW 253.8089 g/mol

Loading molecule...
3D model Iodine, CAS 7553-56-2, molecular formula I2, molar mass 253.8089 g/mol
About Iodine

Iodine is a chemical compound registered under number CAS 7553-56-2, with the molecular formula I2, and a molar mass of 253.8089 g/mol.

The molecule contains 2 atoms connected by 1 chemical bonds. The full systematic IUPAC name of this compound is molecular iodine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.7 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaI2
Molar mass253.8089 g/mol
IUPACmolecular iodine
SMILESII
InChIKeyPNDPGZBMCMUPRI-UHFFFAOYSA-N
logP (XLogP3)1.7
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 807 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS09
GHS09

H332 — Harmful if inhaled

H312 — Harmful in contact with skin

H400 — Very toxic to aquatic life

Scientific literature

Related literature

20 articles · 13 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 20)

2009: number of articles 220092012: number of articles 12015: number of articles 12016: number of articles 22017: number of articles 22019: number of articles 120192021: number of articles 22024: number of articles 12025: number of articles 12026: number of articles 72026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
iodine · Molecular iodine · 7553-56-2 · Diiodine · Iodine crystals · Iodine sublimed · Tincture iodine · Vistarin · Eranol · Iodio · Iode · Iosan superdip · Jood · Iodine tincture · Iodine colloidal
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/807
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
iodine (CAS 7553-56-2), I2 - 3D ball-and-stick molecular model, engraved element symbols (I), MolGod STL previewDownload image

MG-STL-7553-56-2-ENGRAVED · 37,162 △ · 2 MB · SHA-256 6e1b27df2c617b47

Download 3D model · ENGRAVED · I

iodine (CAS 7553-56-2), I2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-7553-56-2-NORMAL · 736 △ · 36 KB · SHA-256 57549ac4354a74f4

Download 3D model

Model
iodine · 7553-56-2
InChIKey
PNDPGZBMCMUPRI-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — iodine (CAS 7553-56-2)
License & provenance record
iodine (CAS 7553-56-2) →
MolGod molecule record
iodine →
Source data
PubChem CID 807 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 59d3f622957e · generated 2026-10-08
SHA-256 (STL)
57549ac4354a74f431a810df709bc8c7aae1951764c901376bfd266cffc0c0e4
MD5 (STL)
c2c1b619a3c293492c78bda340e88ed1
Model identifier
MG-STL-7553-56-2
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

—