S-苄基 O-乙基 二硫代碳酸酯 (CAS 2943-26-2)

S-Benzyl O-ethyl carbonodithioate

CAS 2943-26-2  ·  C10H12OS2  ·  MW 212.3 g/mol

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3D model S-Benzyl O-ethyl carbonodithioate, CAS 2943-26-2, molecular formula C10H12OS2, molar mass 212.3 g/mol
About S-苄基 O-乙基 二硫代碳酸酯 (CAS 2943-26-2)

S-苄基 O-乙基 二硫代碳酸酯 (CAS 2943-26-2) is a chemical compound registered under number CAS 2943-26-2, with the molecular formula C10H12OS2, and a molar mass of 212.3 g/mol.

The molecule contains 25 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is O-ethyl benzylsulfanylmethanethioate. 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 = 3.5 (positive value, a lipophilic compound), polar surface area PSA = 66.6 Ų, 0 donors and 3 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.

Physicochemical properties
Wzór sumarycznyC10H12OS2
Masa molowa212.3 g/mol
IUPACO-ethyl benzylsulfanylmethanethioate
SMILESCCOC(=S)SCC1=CC=CC=C1
InChIKeyVZERTPFKMKYOGV-UHFFFAOYSA-N
logP (XLogP3)3.5
PSA66.6 Ų
HBD / HBA0 / 3
PubChem CIDCID 3753262 ↗
Scientific literature

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14 artykułów · 3 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
S-Benzyl O-ethyl carbonodithioate · 2943-26-2 · O-ethyl benzylsulfanylmethanethioate · MFCD00964108 · benzyl xanthate · benzyl ethoxydithioformate · O-ethyl S-benzyl xanthate · SCHEMBL264585 · Carbonodithioic acid, O-ethyl S-(phenylmethyl) ester · VZERTPFKMKYOGV-UHFFFAOYSA-N · BS-48497 · F72472
Data sources
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