2-(十二烷基三硫代碳酸 酯基)-2-甲基丙酸 (CAS 461642-78-4)

2-(十二烷基三硫代碳酸 酯基)-2-甲基丙酸 (CAS 461642-78-4) is a chemical compound registered under number CAS 461642-78-4, with the molecular formula C₁₇H₃₂O₂S₃, and a molar mass of 364.6 g/mol.

The molecule contains 54 atoms connected by 53 chemical bonds. The full systematic IUPAC name of this compound is 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid. 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 (positive value, a lipophilic compound), polar surface area PSA = 120 Ų, 1 donors and 5 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	C17H32O2S3
Masa molowa	364.6 g/mol
IUPAC	2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid
SMILES	CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
InChIKey	DZFGVGDQHQHOKZ-UHFFFAOYSA-N
logP (XLogP3)	8
PSA	120 Ų
HBD / HBA	1 / 5
PubChem CID	CID 11473994 ↗

2-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid · 2-(((dodecylsulfanyl)carbonothioyl)sulfanyl)-2-methylpropanoic acid · 2-DCS-MPA cpd · RefChem:908947 · 461642-78-4 · 2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid · 2-(Dodecylthiocarbonothioylthio)-2-methylpropionic acid · DDMAT · MFCD10698871 · 2-Methyl-2-[(dodecylsulfanylthiocarbonyl)sulfanyl]propanoic acid · 2-(Dodecylsulfanylthiocarbonylsulfanyl)-2-methylpropionic acid · 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid · C17H32O2S3 · SC10807 · 2-[[(Dodecylthio)carbonothioyl]thio]-2-methylpropionic Acid

• 📊 PubChem CID 11473994 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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