BenZyl dodecyl carbonotrithioate

CAS 939984-29-9  ·  C20H32S3  ·  MW 368.7 g/mol

Full record: BenZyl dodecyl carbonotrithioate — Safety Data Sheet →

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3D model BenZyl dodecyl carbonotrithioate, CAS 939984-29-9, molecular formula C20H32S3, molar mass 368.7 g/mol

Model views

  • BenZyl dodecyl carbonotrithioate (CAS 939984-29-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • BenZyl dodecyl carbonotrithioate (CAS 939984-29-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • BenZyl dodecyl carbonotrithioate (CAS 939984-29-9) – 2D structure, MolGod Viewer
    2D structure

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BenZyl dodecyl carbonotrithioate (CAS 939984-29-9), C20H32S3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_748-553-566-77 · normal · 23,264 △ · 1 MB · SHA-256 8b6524fd8ad4719b

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About BenZyl dodecyl carbonotrithioate

BenZyl dodecyl carbonotrithioate is a chemical compound registered under number CAS 939984-29-9, with the molecular formula C20H32S3, and a molar mass of 368.7 g/mol.

The molecule contains 55 atoms connected by 55 chemical bonds. The full systematic IUPAC name of this compound is benzylsulfanyl(dodecylsulfanyl)methanethione. 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 = 9.3 (positive value, a lipophilic compound), polar surface area PSA = 82.7 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 formulaC20H32S3
Molar mass368.7 g/mol
IUPACbenzylsulfanyl(dodecylsulfanyl)methanethione
SMILESCCCCCCCCCCCCSC(=S)SCC1=CC=CC=C1
InChIKeyIRXKGHBJBSTHCH-UHFFFAOYSA-N
logP (XLogP3)9.3
PSA82.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 21110711 ↗
Scientific literature

Brak articles naukowych dla CAS 939984-29-9 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
BenZyl dodecyl carbonotrithioate · MFCD35325847 · 939984-29-9 · benzyl dodecyl trithiocarbonate · SCHEMBL261767 · SY464603 · H58722 · trithiocarbonic acid benzyl ester dodecyl ester
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
BenZyl dodecyl carbonotrithioate · 939984-29-9
InChIKey
IRXKGHBJBSTHCH-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — BenZyl dodecyl carbonotrithioate (CAS 939984-29-9)
License & provenance record
BenZyl dodecyl carbonotrithioate (CAS 939984-29-9) →
MolGod molecule record
BenZyl dodecyl carbonotrithioate →
Source data
PubChem CID 21110711 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
8b6524fd8ad4719b0c27e94dce1183d6ebcc6fcb610efc9f1632a0a61c2bd6ae
MD5 (STL)
88fd7fdbc6e2367e30e2e7364cccea57
MolGod Identification Number
MG_748-553-566-77
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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