Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)
TL;DR: Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) (CAS 67465-62-7) is a chemical compound with molecular formula C9H13BrN2OS and molecular weight 275.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide
Also Known As: Ro 1-5440, 3-Mercapto-1-methylpyridinium bromide dimethylcarbamate (ester), Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester), 3-[(Dimethylcarbamoyl)sulfanyl]-1-methylpyridin-1-ium bromide, 3-MERCAPTO-1-METHYLPYRIDINIUM BROMIDE DIMETHYLCARBAMATE
| Molecular Formula | C9H13BrN2OS |
|---|---|
| Molecular Weight | 275.99 g/mol |
| LogP | -1.7112 |
| Topological Polar Surface Area | 24.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.9932 |
| Heavy Atoms | 14 |
| Complexity | 317.43518 |
Chemical Identifiers
| CAS Number | 67465-62-7 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)SC(=O)N(C)C.[Br-] |
Product Overview
Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) (CAS 67465-62-7), with molecular formula C9H13BrN2OS and molecular weight 275.99 g/mol. IUPAC: S-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide.
Chemical Property Profile of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)
Property Insights of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)
The XLogP value of -1.7112 indicates that Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.19 Ų, Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) has 0 hydrogen bond donor(s) and 2 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 Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)?
The CAS number of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) is 67465-62-7.
What is the molecular formula of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)?
The molecular formula of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) is C9H13BrN2OS.
What is the molecular weight of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)?
The molecular weight of Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) is 275.99 g/mol.
Where can I buy Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)?
You can request a quote for Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.