2-Cyano-2-propyl dodecyl trithiocarbonate

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

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3D model 2-Cyano-2-propyl dodecyl trithiocarbonate, CAS 870196-83-1, molecular formula C17H31NS3, molar mass 345.6 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC17H31NS3
Masa molowa345.6 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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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License & Provenance

MolGod 3D molecular model
2-Cyano-2-propyl dodecyl trithiocarbonate — CAS 870196-83-1

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) — License & Provenance

Source:
2-Cyano-2-propyl dodecyl trithiocarbonate (CAS 870196-83-1) — MolGod molecule record

Source data: PubChem CID 71310910

STL: Download 3D model (1 MB)

SHA-256: c772fe07d925f03390c792585ab81b26d77ac85c8fa416ce82df3bdc6d5a749a

Wikimedia Commons: not published yet

Source data: PubChem CID 71310910

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