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

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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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Model
2-Cyano-2-propyl dodecyl trithiocarbonate · 870196-83-1
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MolGod Scientific
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Source data
PubChem CID 71310910 ↗
SHA-256 (STL)
c772fe07d925f03390c792585ab81b26d77ac85c8fa416ce82df3bdc6d5a749a
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