Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)
TL;DR: Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) (CAS 66968-02-3) is a chemical compound with molecular formula C12H19IN2OS and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoylsulfanyl)phenyl]-trimethylazanium iodide
Also Known As: Ro 2-1837, (3-Mercaptophenyl)trimethylammonium iodide dimethylcarbamate (ester), [3-(dimethylcarbamoylsulfanyl)phenyl]-trimethylazanium iodide, AMMONIUM, (3-MERCAPTOPHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATE (ester), 3-[(Dimethylcarbamoyl)sulfanyl]-N,N,N-trimethylanilinium iodide
| Molecular Formula | C12H19IN2OS |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | -0.34 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.02628 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 66968-02-3 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=CC(=C1)[N+](C)(C)C.[I-] |
| InChIKey | ZUCNHOQXODWBGS-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) (CAS 66968-02-3), with molecular formula C12H19IN2OS and molecular weight 366.03 g/mol. IUPAC: [3-(dimethylcarbamoylsulfanyl)phenyl]-trimethylazanium iodide.
Chemical Property Profile of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)
Property Insights of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)
The XLogP value of -0.34 indicates that Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.6 Ų, Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) 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 Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)?
The CAS number of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) is 66968-02-3.
What is the molecular formula of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)?
The molecular formula of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) is C12H19IN2OS.
What is the molecular weight of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)?
The molecular weight of Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) is 366.03 g/mol.
Where can I buy Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)?
You can request a quote for Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-mercaptophenyl)trimethyl-, iodide, dimethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.