Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate
TL;DR: Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate (CAS 126651-73-8) is a chemical compound with molecular formula C10H10ClN3O4S and molecular weight 303.00806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[(2-chloro-4-nitrophenyl)carbamothioyl]carbamate
Also Known As: Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate, ethyl N-[(2-chloro-4-nitrophenyl)carbamothioyl]carbamate, Ethyl N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]carbamate
Technical Specifications
| Molecular Formula | C10H10ClN3O4S |
| Molecular Weight | 303.00806 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.00806 Da |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
| SMILES | CCOC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | JKOJXYRQXBPZLZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate
Property Insights of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate
The XLogP value of 3.1 indicates that Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate. Following Lipinski's Rule of Five, Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate?
The CAS number of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate is 126651-73-8.
What is the molecular formula of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate?
The molecular formula of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate is C10H10ClN3O4S.
What is the molecular weight of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate?
The molecular weight of Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate is 303.00806 g/mol.
Where can I buy Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate?
You can request a quote for Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl (2-chloro-4-nitroanilino)carbothioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.