STK331877 (CAS 1861-48-9)

STK331877 (CAS 1861-48-9) is a chemical compound registered under number CAS 1861-48-9, with the molecular formula C₁₁H₁₁BrO₂S₂, and a molar mass of 319.2 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is O-ethyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate. 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 = 4.1 (positive value, a lipophilic compound), polar surface area PSA = 83.7 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	C11H11BrO2S2
Masa molowa	319.2 g/mol
IUPAC	O-ethyl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
SMILES	CCOC(=S)SCC(=O)C1=CC=C(C=C1)Br
InChIKey	WCILALVNENAVPA-UHFFFAOYSA-N
logP (XLogP3)	4.1
PSA	83.7 Ų
HBD / HBA	0 / 4
PubChem CID	CID 308206 ↗

1861-48-9 · STK331877 · RefChem:382186 · DTXCID20259896 · S-[2-(4-bromophenyl)-2-oxoethyl] O-ethyl carbonodithioate · S-(2-(4-Bromophenyl)-2-oxoethyl) O-ethyl carbonodithioate · NSC208895 · WCILALVNENAVPA-UHFFFAOYSA-N · AKOS005439387 · NSC-208895 · DS-008045 · 1-(4-Bromophenyl)-2-ethoxycarbothioylsulfanyl-ethanone · Dithiocarbonic acid, o-ethyl-S-(4-bromobenzoylmethyl) ester · S-[2-(4-Bromophenyl)-2-oxoethyl] o-ethyl dithiocarbonate #

• 📊 PubChem CID 308206 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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