2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione

CAS 17796-82-6  ·  C14H15NO2S  ·  MW 261.34 g/mol

Full record: 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione — Safety Data Sheet →

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3D model 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione, CAS 17796-82-6, molecular formula C14H15NO2S, molar mass 261.34 g/mol

Model views

  • 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6) – 2D structure, MolGod Viewer
    2D structure

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About 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione

2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione is a chemical compound registered under number CAS 17796-82-6, with the molecular formula C14H15NO2S, and a molar mass of 261.34 g/mol.

The molecule contains 33 atoms connected by 35 chemical bonds. The full systematic IUPAC name of this compound is 2-cyclohexylsulfanylisoindole-1,3-dione. 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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 62.7 Ų, 0 donors and 3 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC14H15NO2S
Molar mass261.34 g/mol
IUPAC2-cyclohexylsulfanylisoindole-1,3-dione
SMILESC1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O
InChIKeyUEZWYKZHXASYJN-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA62.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 28777 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H317 — May cause an allergic skin reaction

H410 — Very toxic to aquatic life with long lasting effects

H318 — Causes serious eye damage

H351 — Suspected of causing cancer

H400 — Very toxic to aquatic life

H319 — Causes serious eye irritation

H373 — May cause damage to organs through prolonged or repeated exposure

Scientific literature

Related literature

6 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 6)

1987: number of articles 119871997: number of articles 11999: number of articles 12001: number of articles 120012003: number of articles 12004: number of articles 12004

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
17796-82-6 · N-(Cyclohexylthio)phthalimide · Santogard PVI · 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)- · N-Cyclohexylsulfenylphthalimide · Phthalimide, N-(cyclohexylthio)- · CP 29242 · 50Z9596NJ3 · DTXCID007793 · 2-(CYCLOHEXYLTHIO)-1H-ISOINDOLE-1,3(2H)-DIONE · N-CHTP · cyclohexyl thiophthalimide · RefChem:828419 · 241-774-1 · 2-(Cyclohexylthio)isoindoline-1,3-dione
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione · 17796-82-6
InChIKey
UEZWYKZHXASYJN-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6)
License & provenance record
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione (CAS 17796-82-6) →
MolGod molecule record
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione →
Source data
PubChem CID 28777 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
d88c41eeef81bf499be5d157a78cbff7a6282acb793f9cc6d86dd87a6fb704bb
MD5 (STL)
fa9426d8b7a9accea38d5443e27330f5
MolGod Identification Number
MG_165-527-372-73
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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