S-(4-methylphenyl) 4-nitrophenylthiocarbamate
TL;DR: S-(4-methylphenyl) 4-nitrophenylthiocarbamate (CAS 77499-96-8) 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-methylphenyl) N-(4-nitrophenyl)carbamothioate
Also Known As: S-(4-methylphenyl) 4-nitrophenylthiocarbamate, S-(4-methylphenyl) N-(4-nitrophenyl)carbamothioate, AL-398/12677037
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 4.22742 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 623.8722 |
Chemical Identifiers
| CAS Number | 77499-96-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
S-(4-methylphenyl) 4-nitrophenylthiocarbamate (CAS 77499-96-8), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: S-(4-methylphenyl) N-(4-nitrophenyl)carbamothioate.
Chemical Property Profile of S-(4-methylphenyl) 4-nitrophenylthiocarbamate
Property Insights of S-(4-methylphenyl) 4-nitrophenylthiocarbamate
The XLogP value of 4.22742 indicates that S-(4-methylphenyl) 4-nitrophenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-methylphenyl) 4-nitrophenylthiocarbamate. Following Lipinski's Rule of Five, S-(4-methylphenyl) 4-nitrophenylthiocarbamate has 1 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-methylphenyl) 4-nitrophenylthiocarbamate?
The CAS number of S-(4-methylphenyl) 4-nitrophenylthiocarbamate is 77499-96-8.
What is the molecular formula of S-(4-methylphenyl) 4-nitrophenylthiocarbamate?
The molecular formula of S-(4-methylphenyl) 4-nitrophenylthiocarbamate is C14H12N2O3S.
What is the molecular weight of S-(4-methylphenyl) 4-nitrophenylthiocarbamate?
The molecular weight of S-(4-methylphenyl) 4-nitrophenylthiocarbamate is 288.06 g/mol.
Where can I buy S-(4-methylphenyl) 4-nitrophenylthiocarbamate?
You can request a quote for S-(4-methylphenyl) 4-nitrophenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methylphenyl) 4-nitrophenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methylphenyl) 4-nitrophenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.