(3-nitrophenyl) N,N-dimethylsulfamate
TL;DR: (3-nitrophenyl) N,N-dimethylsulfamate (CAS 1142-00-3) is a chemical compound with molecular formula C8H10N2O5S and molecular weight 246.03104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl) N,N-dimethylsulfamate
Also Known As: (3-nitrophenyl) N,N-dimethylsulfamate, 3-Nitrophenyl dimethylsulfamate
Technical Specifications
| Molecular Formula | C8H10N2O5S |
| Molecular Weight | 246.03104 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03104 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| SMILES | CN(C)S(=O)(=O)OC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | BJZZCZGARFSRKZ-UHFFFAOYSA-N |
Chemical Property Profile of (3-nitrophenyl) N,N-dimethylsulfamate
Property Insights of (3-nitrophenyl) N,N-dimethylsulfamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-nitrophenyl) N,N-dimethylsulfamate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-nitrophenyl) N,N-dimethylsulfamate. Following Lipinski's Rule of Five, (3-nitrophenyl) N,N-dimethylsulfamate 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 (3-nitrophenyl) N,N-dimethylsulfamate?
The CAS number of (3-nitrophenyl) N,N-dimethylsulfamate is 1142-00-3.
What is the molecular formula of (3-nitrophenyl) N,N-dimethylsulfamate?
The molecular formula of (3-nitrophenyl) N,N-dimethylsulfamate is C8H10N2O5S.
What is the molecular weight of (3-nitrophenyl) N,N-dimethylsulfamate?
The molecular weight of (3-nitrophenyl) N,N-dimethylsulfamate is 246.03104 g/mol.
Where can I buy (3-nitrophenyl) N,N-dimethylsulfamate?
You can request a quote for (3-nitrophenyl) N,N-dimethylsulfamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-nitrophenyl) N,N-dimethylsulfamate?
Yes, CoreyChem provides custom synthesis services for (3-nitrophenyl) N,N-dimethylsulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.