Dibenzothiophene
TL;DR: Dibenzothiophene (CAS 132-65-0) is a chemical compound with molecular formula C12H8S and molecular weight 184.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibenzothiophene
Also Known As: dibenzothiophene, Diphenylene sulfide, 9-Thiafluorene, Dibenzo[b,d]thiophene, alpha-Thiafluorene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8S |
| Molecular Weight | 184.03467 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.03467 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| Melting Point | 99.5 °C |
| Boiling Point | 332.5 °C |
| Vapor Pressure | 0.000205 [mmHg] |
| Solubility | Very soluble in ethanol and benzene. Soluble in chloroform, and methanol |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3S2 |
| InChIKey | IYYZUPMFVPLQIF-UHFFFAOYSA-N |
Product Description
Applications: Dibenzothiophene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
A heterocyclic building block supplied by CoreyChem, Dibenzothiophene (CAS 132-65-0) has the molecular formula C12H8S and a molecular weight of 184.03 g/mol. Reported properties include a solubility: Very soluble in ethanol and benzene. Soluble in chloroform, and methanol. Synonyms include dibenzothiophene and Diphenylene sulfide.
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 Dibenzothiophene
Property Insights of Dibenzothiophene
The XLogP value of 4.4 indicates that Dibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Dibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dibenzothiophene?
The CAS number of Dibenzothiophene is 132-65-0.
What is the molecular formula of Dibenzothiophene?
The molecular formula of Dibenzothiophene is C12H8S.
What is the molecular weight of Dibenzothiophene?
The molecular weight of Dibenzothiophene is 184.03467 g/mol.
What are the applications of Dibenzothiophene?
Dibenzothiophene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dibenzothiophene?
You can request a quote for Dibenzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzothiophene?
Yes, CoreyChem provides custom synthesis services for Dibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.