O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate
TL;DR: O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate (CAS 13522-36-6) is a chemical compound with molecular formula C14H11N3O5S and molecular weight 333.04193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(4-nitrophenyl) N-methyl-N-(4-nitrophenyl)carbamothioate
Also Known As: O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate, O-(4-nitrophenyl) N-methyl-N-(4-nitrophenyl)carbamothioate
Technical Specifications
| Molecular Formula | C14H11N3O5S |
| Molecular Weight | 333.04193 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04193 Da |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
| SMILES | CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=S)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FDLQPHFHUREKHC-UHFFFAOYSA-N |
Chemical Property Profile of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate
Property Insights of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate
The XLogP value of 3.5 indicates that O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate. Following Lipinski's Rule of Five, O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate 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 O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate?
The CAS number of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate is 13522-36-6.
What is the molecular formula of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate?
The molecular formula of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate is C14H11N3O5S.
What is the molecular weight of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate?
The molecular weight of O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate is 333.04193 g/mol.
Where can I buy O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate?
You can request a quote for O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate?
Yes, CoreyChem provides custom synthesis services for O-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.