S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
TL;DR: S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate (CAS 13522-40-2) 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.
S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
Also Known As: S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate, S-(4-Nitrophenyl) methyl(phenyl)carbamothioate
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.4 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 | 13522-40-2 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XSUWPIKBHCMWSA-UHFFFAOYSA-N |
Product Overview
S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate (CAS 13522-40-2), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate.
Chemical Property Profile of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
Property Insights of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
The XLogP value of 3.6 indicates that S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate. Following Lipinski's Rule of Five, S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate 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 S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate?
The CAS number of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate is 13522-40-2.
What is the molecular formula of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate?
The molecular formula of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate is C14H12N2O3S.
What is the molecular weight of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate?
The molecular weight of S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate is 288.06 g/mol.
Where can I buy S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate?
You can request a quote for S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.