![2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate structure](/static/products/6882/68823-70-1.webp)
2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate
TL;DR: 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate (CAS 68823-70-1) is a chemical compound with molecular formula C10H11NO4S and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylsulfanylmethyl)-6-nitrophenyl] acetate
Also Known As: [2-(methylsulfanylmethyl)-6-nitrophenyl] acetate|2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate
| Molecular Formula | C10H11NO4S |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.04088 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 68823-70-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC=C1[N+](=O)[O-])CSC |
| InChIKey | DKIZCMRQLPYSBV-UHFFFAOYSA-N |
Product Overview
2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate (CAS 68823-70-1), with molecular formula C10H11NO4S and molecular weight 241.04 g/mol. IUPAC: [2-(methylsulfanylmethyl)-6-nitrophenyl] acetate.
Chemical Property Profile of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate
Property Insights of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate. Following Lipinski's Rule of Five, 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate has 0 hydrogen bond donor(s) and 5 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 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate?
The CAS number of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate is 68823-70-1.
What is the molecular formula of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate?
The molecular formula of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate is C10H11NO4S.
What is the molecular weight of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate?
The molecular weight of 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate is 241.04 g/mol.
Where can I buy 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate?
You can request a quote for 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Methylsulfanyl)methyl]-6-nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.