O-(4-Nitrophenyl) methyl(phenyl)carbamothioate
TL;DR: O-(4-Nitrophenyl) methyl(phenyl)carbamothioate (CAS 7180-27-0) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
Also Known As: O-(4-Nitrophenyl) methyl(phenyl)carbamothioate, O-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 7180-27-0 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FISPVHXJOIDMEB-UHFFFAOYSA-N |
Product Overview
O-(4-Nitrophenyl) methyl(phenyl)carbamothioate (CAS 7180-27-0), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: O-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate.
Chemical Property Profile of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate
Property Insights of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate
The XLogP value of 3.7 indicates that O-(4-Nitrophenyl) methyl(phenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Nitrophenyl) methyl(phenyl)carbamothioate. Following Lipinski's Rule of Five, O-(4-Nitrophenyl) methyl(phenyl)carbamothioate has 0 hydrogen bond donor(s) and 4 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 O-(4-Nitrophenyl) methyl(phenyl)carbamothioate?
The CAS number of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate is 7180-27-0.
What is the molecular formula of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate?
The molecular formula of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate is C14H12N2O3S.
What is the molecular weight of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate?
The molecular weight of O-(4-Nitrophenyl) methyl(phenyl)carbamothioate is 288.06 g/mol.
Where can I buy O-(4-Nitrophenyl) methyl(phenyl)carbamothioate?
You can request a quote for O-(4-Nitrophenyl) methyl(phenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Nitrophenyl) methyl(phenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Nitrophenyl) methyl(phenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.