(2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide
TL;DR: (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide (CAS 107865-59-8) is a chemical compound with molecular formula C10H14NO3S+ and molecular weight 228.06944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxy-5-nitrophenyl)methyl-dimethylsulfanium
Also Known As: EINECS 264-876-8, (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide, [(2-Methoxy-5-nitrophenyl)methyl]dimethylsulfonium, (2-Methoxy-5-nitrobenzyl)dimethylsulfonium bromide, (2-methoxy-5-nitrophenyl)methyl-dimethylsulfanium
Technical Specifications
| Molecular Formula | C10H14NO3S+ |
| Molecular Weight | 228.06944 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06944 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C[S+](C)C |
| InChIKey | WZWZBLLLPIHNTI-UHFFFAOYSA-N |
Chemical Property Profile of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide
Property Insights of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide. With a topological polar surface area (TPSA) of 56.1 Ų, (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide 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
What is the CAS number of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide?
The CAS number of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide is 107865-59-8.
What is the molecular formula of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide?
The molecular formula of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide is C10H14NO3S+.
What is the molecular weight of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide?
The molecular weight of (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide is 228.06944 g/mol.
Where can I buy (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide?
You can request a quote for (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide?
Yes, CoreyChem provides custom synthesis services for (2-Methoxy-5-nitrobenzyl)dimethylsulphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.