2-Cyano-2-propyl dodecyl trithiocarbonate

CAS 870196-83-1  ·  C17H31NS3  ·  MW 345.6 g/mol

Full record: 2-Cyano-2-propyl dodecyl trithiocarbonate — Safety Data Sheet →

Loading molecule...
3D model 2-Cyano-2-propyl dodecyl trithiocarbonate, CAS 870196-83-1, molecular formula C17H31NS3, molar mass 345.6 g/mol

Model views

  • 2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) – 2D structure, MolGod Viewer
    2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

🖨️ 3D print model & licenseMolGod_Print3D_1
2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1), C17H31NS3 - 3D ball-and-stick molecular model, engraved element symbols (C H N S), MolGod STL previewDownload image

MG_784-050-264-75 · engraved · 591,486 △ · 28 MB · SHA-256 4c555b8fe4d1cada

Download 3D model: 2-Cyano-2-propyl dodecyl trithiocarbonate, C17H31NS3, CAS 870196-83-1 · ENGRAVED (C, H, N, S) · 28 MB

2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1), C17H31NS3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_784-050-264-75 · normal · 21,824 △ · 1 MB · SHA-256 969d7215f4215d5e

Download 3D model: 2-Cyano-2-propyl dodecyl trithiocarbonate, C17H31NS3, CAS 870196-83-1 · NORMAL · 1 MB

License & provenance ↓

⚠️ The MolGod.org name and logo, including the raised logo on the base, are our trademark. The CC BY-SA 4.0 licence does not cover trademarks (section 2(b)(2)). Do not use the MolGod.org logo to brand your own products, in advertising, or in any way that suggests our endorsement without our written permission.

About 2-Cyano-2-propyl dodecyl trithiocarbonate

2-Cyano-2-propyl dodecyl trithiocarbonate is a chemical compound registered under number CAS 870196-83-1, with the molecular formula C17H31NS3, and a molar mass of 345.6 g/mol.

The molecule contains 52 atoms connected by 51 chemical bonds. The full systematic IUPAC name of this compound is 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile. 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 = 8.2 (positive value, a lipophilic compound), polar surface area PSA = 106 Ų, 0 donors and 4 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 formulaC17H31NS3
Molar mass345.6 g/mol
IUPAC2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
SMILESCCCCCCCCCCCCSC(=S)SC(C)(C)C#N
InChIKeyQSVOWVXHKOQYIP-UHFFFAOYSA-N
logP (XLogP3)8.2
PSA106 Ų
HBD / HBA0 / 4
PubChem CIDCID 71310910 ↗
Scientific literature

Related literature

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

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

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

Synonyms
2-Cyano-2-propyl dodecyl trithiocarbonate · RefChem:470590 · 870196-83-1 · 2-Cyanopropan-2-yl dodecyl carbonotrithioate · S-(2-Cyanoprop-2-yl)-S-dodecyltrithiocarbonate · MFCD11973800 · C17H31NS3 · s-(2-cyano-2-propyl)-s-dodecyltrithiocarbonate · 2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}-2-METHYLPROPANENITRILE · 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile · SCHEMBL2593550 · VJB19683 · AKOS025243589 · CS-W011887 · SC10813
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-Cyano-2-propyl dodecyl trithiocarbonate · 870196-83-1
InChIKey
QSVOWVXHKOQYIP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1)
License & provenance record
2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) →
MolGod molecule record
2-Cyano-2-propyl dodecyl trithiocarbonate →
Source data
PubChem CID 71310910 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
969d7215f4215d5e1616c9625ee664c86f31338de9d617df46d047e04d65097b
MD5 (STL)
e51c986bdcf8ef3bd680c62f3f178df5
MolGod Identification Number
MG_784-050-264-75
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

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

—