Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester
TL;DR: Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester (CAS 139326-42-4) is a chemical compound with molecular formula C9H9NO5S and molecular weight 243.02014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-nitrophenyl)sulfinylacetate
Also Known As: Methyl 2-(2-nitrophenyl)sulfinylacetate, (2-Nitrophenyl)sulfinyl acetic acid methyl ester, Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester, Methyl (2-nitrobenzene-1-sulfinyl)acetate, 2-Nitrophenylsulfinyl-acetic acid, methyl ester
Technical Specifications
| Molecular Formula | C9H9NO5S |
| Molecular Weight | 243.02014 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.02014 Da |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
| SMILES | COC(=O)CS(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | MJCRVNLFBAINLZ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester
Property Insights of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester?
The CAS number of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester is 139326-42-4.
What is the molecular formula of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester?
The molecular formula of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester is C9H9NO5S.
What is the molecular weight of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester?
The molecular weight of Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester is 243.02014 g/mol.
Where can I buy Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester?
You can request a quote for Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2-nitrophenyl)sulfinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.