Dimethylthionocarbamylcholine
TL;DR: Dimethylthionocarbamylcholine (CAS 139264-97-4) is a chemical compound with molecular formula C8H21BrN2OS and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethylazanium bromide
Also Known As: Dmtc-Ch, Dimethylthionocarbamylcholine, 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethylazanium;bromide, 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethylazanium bromide, Ethanaminium, 2-((dimethylamino)thioxomethoxy)-N,N,N-trimethyl-, bromide
| Molecular Formula | C8H21BrN2OS |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | -2.5118 |
| Topological Polar Surface Area | 13.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0558 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 139264-97-4 |
|---|---|
| SMILES | CN(C)C(OCC[N+](C)(C)C)S.[Br-] |
| InChIKey | QZKRDAIHWGNLGN-UHFFFAOYSA-N |
Product Overview
Dimethylthionocarbamylcholine (CAS 139264-97-4), with molecular formula C8H21BrN2OS and molecular weight 272.06 g/mol. IUPAC: 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethylazanium bromide.
Chemical Property Profile of Dimethylthionocarbamylcholine
Property Insights of Dimethylthionocarbamylcholine
The XLogP value of -2.5118 indicates that Dimethylthionocarbamylcholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.5 Ų, Dimethylthionocarbamylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylthionocarbamylcholine has 1 hydrogen bond donor(s) and 4 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 Dimethylthionocarbamylcholine?
The CAS number of Dimethylthionocarbamylcholine is 139264-97-4.
What is the molecular formula of Dimethylthionocarbamylcholine?
The molecular formula of Dimethylthionocarbamylcholine is C8H21BrN2OS.
What is the molecular weight of Dimethylthionocarbamylcholine?
The molecular weight of Dimethylthionocarbamylcholine is 272.06 g/mol.
Where can I buy Dimethylthionocarbamylcholine?
You can request a quote for Dimethylthionocarbamylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylthionocarbamylcholine?
Yes, KEHONG BIO provides custom synthesis services for Dimethylthionocarbamylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.