5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
TL;DR: 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione (CAS 532-11-6) is a chemical compound with molecular formula C10H8OS3 and molecular weight 239.97372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methoxyphenyl)dithiole-3-thione
Also Known As: Anethole trithione, anetholtrithion, Sulfarlem, Tiopropen, Felviten
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8OS3 |
| Molecular Weight | 239.97372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97372 Da |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=S)SS2 |
| InChIKey | KYLIZBIRMBGUOP-UHFFFAOYSA-N |
Product Description
Applications: 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is a pharmaceutical intermediate identified by CAS number 532-11-6 and the molecular formula C10H8OS3 and a molecular weight of 239.97 g/mol. Synonyms include Anethole trithione and anetholtrithion.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
Property Insights of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
The CAS number of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is 532-11-6.
What is the molecular formula of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
The molecular formula of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is C10H8OS3.
What is the molecular weight of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
The molecular weight of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is 239.97372 g/mol.
What are the applications of 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
You can request a quote for 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.