1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea (CAS 69123-62-2) is a chemical compound with molecular formula C9H7N5O3S and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
Also Known As: Urea,3,4-thiadiazol-2-yl-, 1-(4-nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea, 1-(4-nitro-phenyl)-3-[1,3,4]thiadiazol-2-yl-urea, N-(4-Nitrophenyl)-N'-(1,3,4-thiadiazol-2-yl)urea
| Molecular Formula | C9H7N5O3S |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.02695 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 69123-62-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=NN=CS2)[N+](=O)[O-] |
| InChIKey | MTAVUFMMNRSMCG-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea (CAS 69123-62-2), with molecular formula C9H7N5O3S and molecular weight 265.03 g/mol. IUPAC: 1-(4-nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea has 2 hydrogen bond donor(s) and 6 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 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea is 69123-62-2.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea is C9H7N5O3S.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea is 265.03 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.