4-氰基-4-[[(十二烷硫基)硫酮甲基]硫基]戊酸 (CAS 870196-80-8)

4-氰基-4-[[(十二烷硫基)硫酮甲基]硫基]戊酸 (CAS 870196-80-8) is a chemical compound registered under number CAS 870196-80-8, with the molecular formula C₁₉H₃₃NO₂S₃, and a molar mass of 403.7 g/mol.

The molecule contains 58 atoms connected by 57 chemical bonds. The full systematic IUPAC name of this compound is 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic 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 = 7.6 (positive value, a lipophilic compound), polar surface area PSA = 144 Ų, 1 donors and 6 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	C19H33NO2S3
Masa molowa	403.7 g/mol
IUPAC	4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid
SMILES	CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N
InChIKey	RNTXYZIABJIFKQ-UHFFFAOYSA-N
logP (XLogP3)	7.6
PSA	144 Ų
HBD / HBA	1 / 6
PubChem CID	CID 57354956 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid · RefChem:522227 · 687-390-1 · 870196-80-8 · 4-Cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoic acid · 4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoic acid · MFCD11040288 · 4-CYANO-4-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}-4-METHYLBUTANOIC ACID · SCHEMBL851743 · 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid · 4-CYANO-4-[[(DODECYLTHIO)CARBONOTHIOYL]THIO]PENTANOIC ACID · 4-Cyano-4-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid · Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]- · 4-Cyano-4-(dodecylthiocarbonothioylthio)pentanoic acid · C19H33NO2S3

• 📊 PubChem CID 57354956 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

4-氰基-4-[[(十二烷硫基)硫酮甲基]硫基]戊酸 (CAS 870196-80-8) →