Benzo(B)Thiophene
TL;DR: Benzo(B)Thiophene (CAS 95-15-8) is a chemical compound with molecular formula C8H6S and molecular weight 134.01903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzothiophene
Also Known As: Benzo[b]thiophene, Thianaphthene, 1-Benzothiophene, BENZOTHIOPHENE, Benzothiofuran
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6S |
| Molecular Weight | 134.01903 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.01903 Da |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Vapor Pressure | 0.99 [mmHg] |
| SMILES | C1=CC=C2C(=C1)C=CS2 |
| InChIKey | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
Product Description
Applications: Benzo(B)Thiophene 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).
Benzo(B)Thiophene (CAS 95-15-8) is a pharmaceutical intermediate with the molecular formula C8H6S and a molecular weight of 134.02 g/mol. Synonyms include Benzo[b]thiophene and Thianaphthene.
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 Benzo(B)Thiophene
Property Insights of Benzo(B)Thiophene
The XLogP value of 3.1 indicates that Benzo(B)Thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo(B)Thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(B)Thiophene 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 Benzo(B)Thiophene?
The CAS number of Benzo(B)Thiophene is 95-15-8.
What is the molecular formula of Benzo(B)Thiophene?
The molecular formula of Benzo(B)Thiophene is C8H6S.
What is the molecular weight of Benzo(B)Thiophene?
The molecular weight of Benzo(B)Thiophene is 134.01903 g/mol.
What are the applications of Benzo(B)Thiophene?
Benzo(B)Thiophene 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...
Where can I buy Benzo(B)Thiophene?
You can request a quote for Benzo(B)Thiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(B)Thiophene?
Yes, CoreyChem provides custom synthesis services for Benzo(B)Thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.