Diethylthiambutene
TL;DR: Diethylthiambutene (CAS 86-14-6) is a chemical compound with molecular formula C16H21NS2 and molecular weight 291.11154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
Also Known As: Diethylthiambutene, Thiambutene, Diethibutin, Themalon, Dietiltiambuteno
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H21NS2 |
| Molecular Weight | 291.11154 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.11154 Da |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
| SMILES | CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2 |
| InChIKey | CBYWMRHUUVRIAF-UHFFFAOYSA-N |
Product Description
Applications: Diethylthiambutene 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).
A pharmaceutical intermediate supplied by CoreyChem, Diethylthiambutene (CAS 86-14-6) has the molecular formula C16H21NS2 and a molecular weight of 291.11 g/mol. Synonyms include Diethylthiambutene and Thiambutene.
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 Diethylthiambutene
Property Insights of Diethylthiambutene
The XLogP value of 4.9 indicates that Diethylthiambutene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, Diethylthiambutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylthiambutene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethylthiambutene?
The CAS number of Diethylthiambutene is 86-14-6.
What is the molecular formula of Diethylthiambutene?
The molecular formula of Diethylthiambutene is C16H21NS2.
What is the molecular weight of Diethylthiambutene?
The molecular weight of Diethylthiambutene is 291.11154 g/mol.
What are the applications of Diethylthiambutene?
Diethylthiambutene 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 Diethylthiambutene?
You can request a quote for Diethylthiambutene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethylthiambutene?
Yes, CoreyChem provides custom synthesis services for Diethylthiambutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.