BenZyl dodecyl carbonotrithioate

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

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3D model BenZyl dodecyl carbonotrithioate, CAS 939984-29-9, molecular formula C20H32S3, molar mass 368.7 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC20H32S3
Masa molowa368.7 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

Related literature

20 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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J. McGrath, A. Al-Hamzawi, J. Alonso et al. (2023) · Lancet psychiatry
AI Summary
By age 75, approximately half the population can expect to develop one or more of the mental disorders considered here, and services need to have the capacity to detect and treat common mental disorders promptly and to optimize services that suit patients in these critical parts of the life course.
Cytowania: 431Influential: 22Open AccessDOI ↗PubMed ↗PDF ↗
Yifan Zhang, Ting Cao, Yu-Qi Wang et al. (2024) · Foods
AI Summary
Viable and heat-inactivated Bifidobacterium longum D42 have inhibitory effects on proliferation and promote the apoptosis of human colon cancer cells, and also have certain adjuvant drug therapeutic effects and have potential application value in the adjuvant treatment of colon cancer.
Cytowania: 18Influential: 1Open AccessDOI ↗PubMed ↗PDF ↗

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

Synonyms
BenZyl dodecyl carbonotrithioate · MFCD35325847 · 939984-29-9 · benzyl dodecyl trithiocarbonate · SCHEMBL261767 · SY464603 · H58722 · trithiocarbonic acid benzyl ester dodecyl ester
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
BenZyl dodecyl carbonotrithioate · 939984-29-9
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
BenZyl dodecyl carbonotrithioate (CAS 939984-29-9) →
MolGod molecule record
BenZyl dodecyl carbonotrithioate →
Source data
PubChem CID 21110711 ↗
SHA-256 (STL)
1c699f8256606661d36fb3b22e024665fcb98bcb090582d840fe4c01756779a4
Wikimedia Commons
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