Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)
TL;DR: Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) (CAS 74203-47-7) is a chemical compound with molecular formula C15H17BrN2OS and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide
Also Known As: 1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide, 1- sulfanyl-N,N-dimethyl-formamidebromide, Pyridinium, 1-benzyl-3-dimethylcarbamoylthio-, bromide, Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester), S-(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide
| Molecular Formula | C15H17BrN2OS |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | -0.1999 |
| Topological Polar Surface Area | 24.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0245 |
| Heavy Atoms | 20 |
| Complexity | 560.8098 |
Chemical Identifiers
| CAS Number | 74203-47-7 |
|---|---|
| SMILES | CN(C)C(=O)SC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-] |
Product Overview
Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) (CAS 74203-47-7), with molecular formula C15H17BrN2OS and molecular weight 352.02 g/mol. IUPAC: S-(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide.
Chemical Property Profile of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)
Property Insights of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)
The XLogP value of -0.1999 indicates that Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (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, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (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, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)?
The CAS number of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) is 74203-47-7.
What is the molecular formula of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)?
The molecular formula of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) is C15H17BrN2OS.
What is the molecular weight of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)?
The molecular weight of Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) is 352.02 g/mol.
Where can I buy Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)?
You can request a quote for Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.