Thianthrene
TL;DR: Thianthrene (CAS 92-85-3) is a chemical compound with molecular formula C12H8S2 and molecular weight 216.00674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thianthrene
Also Known As: THIANTHRENE, Thianthren, Thiaanthrene, 9,10-Dithiaanthracene, thianthren-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8S2 |
| Molecular Weight | 216.00674 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.00674 Da |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
| Vapor Pressure | 0.000031 [mmHg] |
| SMILES | C1=CC=C2C(=C1)SC3=CC=CC=C3S2 |
| InChIKey | GVIJJXMXTUZIOD-UHFFFAOYSA-N |
Product Description
Applications: Thianthrene 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. CoreyChem supplies Thianthrene (CAS 92-85-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Thianthrene (CAS 92-85-3) has the molecular formula C12H8S2 and a molecular weight of 216.01 g/mol. It is also known as THIANTHRENE and Thianthren.
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 Thianthrene
Property Insights of Thianthrene
The XLogP value of 4.6 indicates that Thianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Thianthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thianthrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thianthrene?
The CAS number of Thianthrene is 92-85-3.
What is the molecular formula of Thianthrene?
The molecular formula of Thianthrene is C12H8S2.
What is the molecular weight of Thianthrene?
The molecular weight of Thianthrene is 216.00674 g/mol.
What are the applications of Thianthrene?
Thianthrene 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. CoreyChem supplies Thianthrene (CAS 92-85-3) with custom...
Where can I buy Thianthrene?
You can request a quote for Thianthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thianthrene?
Yes, CoreyChem provides custom synthesis services for Thianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.