Diethylthiambutene
TL;DR: Diethylthiambutene (CAS 86-14-6) is a chemical compound with molecular formula C16H21NS2 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
Also Known As: Diethylthiambutene, Thiambutene, Diethibutin, Themalon, Dietiltiambuteno
| Molecular Formula | C16H21NS2 |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.11154 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 86-14-6 |
|---|---|
| SMILES | CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2 |
| InChIKey | CBYWMRHUUVRIAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylthiambutene (CAS 86-14-6), with molecular formula C16H21NS2 and molecular weight 291.11 g/mol. IUPAC: N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine.
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
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 291.11 g/mol.
Where can I buy Diethylthiambutene?
You can request a quote for Diethylthiambutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylthiambutene?
Yes, KEHONG BIO provides custom synthesis services for Diethylthiambutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.