Ethylmethylthiambutene
TL;DR: Ethylmethylthiambutene (CAS 441-61-2) is a chemical compound with molecular formula C15H19NS2 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-methyl-4,4-dithiophen-2-ylbut-3-en-2-amine
Also Known As: Ethylmethylthiambutene, Emethibutin, Etilmetiltiambutene, Etilmetiltiambuteno, Ethylmethiambutene
| Molecular Formula | C15H19NS2 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0959 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 441-61-2 |
|---|---|
| SMILES | CCN(C)C(C)C=C(C1=CC=CS1)C2=CC=CS2 |
| InChIKey | MORSAEFGQPDBKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylmethylthiambutene (CAS 441-61-2), with molecular formula C15H19NS2 and molecular weight 277.10 g/mol. IUPAC: N-ethyl-N-methyl-4,4-dithiophen-2-ylbut-3-en-2-amine.
Chemical Property Profile of Ethylmethylthiambutene
Property Insights of Ethylmethylthiambutene
The XLogP value of 4.5 indicates that Ethylmethylthiambutene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, Ethylmethylthiambutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylmethylthiambutene 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 Ethylmethylthiambutene?
The CAS number of Ethylmethylthiambutene is 441-61-2.
What is the molecular formula of Ethylmethylthiambutene?
The molecular formula of Ethylmethylthiambutene is C15H19NS2.
What is the molecular weight of Ethylmethylthiambutene?
The molecular weight of Ethylmethylthiambutene is 277.10 g/mol.
Where can I buy Ethylmethylthiambutene?
You can request a quote for Ethylmethylthiambutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylmethylthiambutene?
Yes, KEHONG BIO provides custom synthesis services for Ethylmethylthiambutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.