Dimethylthiambutene hydrochloride
TL;DR: Dimethylthiambutene hydrochloride (CAS 5786-77-6) is a chemical compound with molecular formula C14H18ClNS2 and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dithiophen-2-ylbut-3-en-2-yl(dimethyl)azanium chloride
Also Known As: Ohton hydrochloride, Dimethylthiambutene hydrochloride, Dimethylthiambutene HCl, Aminobutene hydrochloride, Dimethibutin hydrochloride
| Molecular Formula | C14H18ClNS2 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | -0.22 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.05692 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 5786-77-6 |
|---|---|
| SMILES | CC(C=C(C1=CC=CS1)C2=CC=CS2)[NH+](C)C.[Cl-] |
| InChIKey | OBFGNODOJKVYIR-UHFFFAOYSA-N |
Product Overview
Dimethylthiambutene hydrochloride (CAS 5786-77-6), with molecular formula C14H18ClNS2 and molecular weight 299.06 g/mol. IUPAC: 4,4-dithiophen-2-ylbut-3-en-2-yl(dimethyl)azanium chloride.
Chemical Property Profile of Dimethylthiambutene hydrochloride
Property Insights of Dimethylthiambutene hydrochloride
The XLogP value of -0.22 indicates that Dimethylthiambutene hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylthiambutene hydrochloride. Following Lipinski's Rule of Five, Dimethylthiambutene hydrochloride has 1 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 Dimethylthiambutene hydrochloride?
The CAS number of Dimethylthiambutene hydrochloride is 5786-77-6.
What is the molecular formula of Dimethylthiambutene hydrochloride?
The molecular formula of Dimethylthiambutene hydrochloride is C14H18ClNS2.
What is the molecular weight of Dimethylthiambutene hydrochloride?
The molecular weight of Dimethylthiambutene hydrochloride is 299.06 g/mol.
Where can I buy Dimethylthiambutene hydrochloride?
You can request a quote for Dimethylthiambutene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylthiambutene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethylthiambutene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.