Desmethylanethol trithione
TL;DR: Desmethylanethol trithione (CAS 18274-81-2) is a chemical compound with molecular formula C9H6OS3 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxyphenyl)dithiole-3-thione
Also Known As: ADT-OH, 5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione, Desmethyl-adt, Desmethylanethol trithione, 4-Hydroxyanethole trithione
| Molecular Formula | C9H6OS3 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 3.91169 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.95808 |
| Heavy Atoms | 13 |
| Complexity | 452.2121 |
Chemical Identifiers
| CAS Number | 18274-81-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=S)SS2)O |
Product Overview
Desmethylanethol trithione (CAS 18274-81-2), with molecular formula C9H6OS3 and molecular weight 225.96 g/mol. IUPAC: 5-(4-hydroxyphenyl)dithiole-3-thione.
Chemical Property Profile of Desmethylanethol trithione
Property Insights of Desmethylanethol trithione
The XLogP value of 3.91169 indicates that Desmethylanethol trithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Desmethylanethol trithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylanethol trithione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desmethylanethol trithione?
The CAS number of Desmethylanethol trithione is 18274-81-2.
What is the molecular formula of Desmethylanethol trithione?
The molecular formula of Desmethylanethol trithione is C9H6OS3.
What is the molecular weight of Desmethylanethol trithione?
The molecular weight of Desmethylanethol trithione is 225.96 g/mol.
Where can I buy Desmethylanethol trithione?
You can request a quote for Desmethylanethol trithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylanethol trithione?
Yes, KEHONG BIO provides custom synthesis services for Desmethylanethol trithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.