N-Ethyl-N'-(5-nitro-2-thiazolyl)urea
TL;DR: N-Ethyl-N'-(5-nitro-2-thiazolyl)urea (CAS 139-94-6) is a chemical compound with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
Also Known As: Nithiazide, Hepzide, Nithiazid, Hepzide 30, 1-Ethyl-3-(5-nitrothiazol-2-yl)urea
| Molecular Formula | C6H8N4O3S |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03171 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| Melting Point | 227.8 °C (decomposes) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 139-94-6 |
|---|---|
| SMILES | CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-] |
| InChIKey | FQSUTLQHSDLLAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-N'-(5-nitro-2-thiazolyl)urea (CAS 139-94-6), with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol. IUPAC: 1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea.
Chemical Property Profile of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea
Property Insights of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N'-(5-nitro-2-thiazolyl)urea. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-N'-(5-nitro-2-thiazolyl)urea. Following Lipinski's Rule of Five, N-Ethyl-N'-(5-nitro-2-thiazolyl)urea 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
Frequently Asked Questions
What is the CAS number of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea?
The CAS number of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea is 139-94-6.
What is the molecular formula of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea?
The molecular formula of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea is C6H8N4O3S.
What is the molecular weight of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea?
The molecular weight of N-Ethyl-N'-(5-nitro-2-thiazolyl)urea is 216.03 g/mol.
Where can I buy N-Ethyl-N'-(5-nitro-2-thiazolyl)urea?
You can request a quote for N-Ethyl-N'-(5-nitro-2-thiazolyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N'-(5-nitro-2-thiazolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N'-(5-nitro-2-thiazolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.