S-Benzyl O-ethyl carbonodithioate

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

Full record: S-Benzyl O-ethyl carbonodithioate — Safety Data Sheet →

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3D model S-Benzyl O-ethyl carbonodithioate, CAS 2943-26-2, molecular formula C10H12OS2, molar mass 212.3 g/mol

Model views

  • S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2) – 2D structure, MolGod Viewer
    2D structure

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S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2), C10H12OS2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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About S-Benzyl O-ethyl carbonodithioate

S-Benzyl O-ethyl carbonodithioate 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC10H12OS2
Molar mass212.3 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

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

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
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
S-Benzyl O-ethyl carbonodithioate · 2943-26-2
InChIKey
VZERTPFKMKYOGV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2)
License & provenance record
S-Benzyl O-ethyl carbonodithioate (CAS 2943-26-2) →
MolGod molecule record
S-Benzyl O-ethyl carbonodithioate →
Source data
PubChem CID 3753262 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
a1ab6a97dc872bd541057d87210f986450aa2bd608feb344240be13e099eb9d5
MD5 (STL)
15608355e2b27f6852ad1e799ebc83fe
MolGod Identification Number
MG_395-757-994-05
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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