4-氰基-4-(((乙硫基)硫代羰基)硫基)戊酸 (CAS 1137725-46-2)

4-氰基-4-(((乙硫基)硫代羰基)硫基)戊酸 (CAS 1137725-46-2) is a chemical compound registered under number CAS 1137725-46-2, with the molecular formula C₉H₁₃NO₂S₃, and a molar mass of 263.4 g/mol.

The molecule contains 28 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 4-cyano-4-ethylsulfanylcarbothioylsulfanylpentanoic 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 = 2.4 (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	C9H13NO2S3
Masa molowa	263.4 g/mol
IUPAC	4-cyano-4-ethylsulfanylcarbothioylsulfanylpentanoic acid
SMILES	CCSC(=S)SC(C)(CCC(=O)O)C#N
InChIKey	KEWSCDNULKOKTG-UHFFFAOYSA-N
logP (XLogP3)	2.4
PSA	144 Ų
HBD / HBA	1 / 6
PubChem CID	CID 58283676 ↗

Sygnał: Uwaga

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

1137725-46-2 · 4-Cyano-4-[(ethylsulfanylthiocarbonyl)sulfanyl]pentanoic acid · 4-Cyano-4-((ethylsulfanylthiocarbonyl)sulfanyl)pentanoic acid · RefChem:522225 · 884-748-0 · 4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid · MFCD27978407 · 4-cyano-4-ethylsulfanylcarbothioylsulfanylpentanoic acid · 4-Cyano-4-{[(ethylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid · 4-Cyano-4-[[(ethylthio)carbonothioyl]thio]pentanoic Acid · C9H13NO2S3 · 4-CYANO-4-{[(ETHYLSULFANYL)METHANETHIOYL]SULFANYL}-4-METHYLBUTANOIC ACID · SCHEMBL1359768 · AKOS030529194 · AS-47128

• 📊 PubChem CID 58283676 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

4-氰基-4-(((乙硫基)硫代羰基)硫基)戊酸 (CAS 1137725-46-2) →