O-ethyl N-(2-nitrophenyl)carbamothioate
TL;DR: O-ethyl N-(2-nitrophenyl)carbamothioate (CAS 22074-87-9) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(2-nitrophenyl)carbamothioate
Also Known As: O-ethyl 2-nitrophenylthiocarbamate, O-ethyl N-(2-nitrophenyl)carbamothioate, O-Ethyl (2-nitrophenyl)carbamothioate, AE-641/30106036
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.3281 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 381.37512 |
Chemical Identifiers
| CAS Number | 22074-87-9 |
|---|---|
| SMILES | CCOC(=S)NC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
O-ethyl N-(2-nitrophenyl)carbamothioate (CAS 22074-87-9), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: O-ethyl N-(2-nitrophenyl)carbamothioate.
Chemical Property Profile of O-ethyl N-(2-nitrophenyl)carbamothioate
Property Insights of O-ethyl N-(2-nitrophenyl)carbamothioate
The XLogP value of 2.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-ethyl N-(2-nitrophenyl)carbamothioate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl N-(2-nitrophenyl)carbamothioate. Following Lipinski's Rule of Five, O-ethyl N-(2-nitrophenyl)carbamothioate 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 O-ethyl N-(2-nitrophenyl)carbamothioate?
The CAS number of O-ethyl N-(2-nitrophenyl)carbamothioate is 22074-87-9.
What is the molecular formula of O-ethyl N-(2-nitrophenyl)carbamothioate?
The molecular formula of O-ethyl N-(2-nitrophenyl)carbamothioate is C9H10N2O3S.
What is the molecular weight of O-ethyl N-(2-nitrophenyl)carbamothioate?
The molecular weight of O-ethyl N-(2-nitrophenyl)carbamothioate is 226.04 g/mol.
Where can I buy O-ethyl N-(2-nitrophenyl)carbamothioate?
You can request a quote for O-ethyl N-(2-nitrophenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl N-(2-nitrophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl N-(2-nitrophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.