S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate
TL;DR: S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate (CAS 199585-01-8) is a chemical compound with molecular formula C14H11ClN2O4S and molecular weight 338.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methoxyphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate
Also Known As: S-(4-Methoxyphenyl) (2-chloro-5-nitrophenyl)carbamothioate, S-(4-METHOXYPHENYL) N-(2-CHLORO-5-NITROPHENYL)THIOCARBAMATE, S-(4-methoxyphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate, Carbamothioic acid, (2-chloro-5-nitrophenyl)-, S-(4-methoxyphenyl) ester
| Molecular Formula | C14H11ClN2O4S |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.01282 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 199585-01-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| InChIKey | KZMWXRSLFOOREU-UHFFFAOYSA-N |
Product Overview
S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate (CAS 199585-01-8), with molecular formula C14H11ClN2O4S and molecular weight 338.01 g/mol. IUPAC: S-(4-methoxyphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate.
Chemical Property Profile of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate
Property Insights of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate
The XLogP value of 4.0 indicates that S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate. Following Lipinski's Rule of Five, S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate has 1 hydrogen bond donor(s) and 5 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-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate?
The CAS number of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate is 199585-01-8.
What is the molecular formula of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate?
The molecular formula of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate is C14H11ClN2O4S.
What is the molecular weight of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate?
The molecular weight of S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate is 338.01 g/mol.
Where can I buy S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate?
You can request a quote for S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Methoxyphenyl) N-(2-chloro-5-nitrophenyl)thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.