2-氰基丙-2-基十二烷基碳三硫代甲酸酯 (CAS 870196-83-1)

2-氰基丙-2-基十二烷基碳三硫代甲酸酯 (CAS 870196-83-1) 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.

Wzór sumaryczny	C17H31NS3
Masa molowa	345.6 g/mol
IUPAC	2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
SMILES	CCCCCCCCCCCCSC(=S)SC(C)(C)C#N
InChIKey	QSVOWVXHKOQYIP-UHFFFAOYSA-N
logP (XLogP3)	8.2
PSA	106 Ų
HBD / HBA	0 / 4
PubChem CID	CID 71310910 ↗

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

• 📊 PubChem CID 71310910 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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