1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea
TL;DR: 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea (CAS 1029803-87-9) is a chemical compound with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(2-hydroxy-1,1-dimethylethyl)-3-(4-nitrophenyl)thiourea, 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-nitrophenyl)thiourea, 1-(2-hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea
| Molecular Formula | C11H15N3O3S |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.6521 |
| Topological Polar Surface Area | 87.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0834 |
| Heavy Atoms | 18 |
| Complexity | 445.3516 |
Chemical Identifiers
| CAS Number | 1029803-87-9 |
|---|---|
| SMILES | CC(C)(CO)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea (CAS 1029803-87-9), with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol. IUPAC: 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea
Property Insights of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea
The XLogP value of 1.6521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea. The TPSA of 87.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea. Following Lipinski's Rule of Five, 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea has 3 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 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea?
The CAS number of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea is 1029803-87-9.
What is the molecular formula of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea?
The molecular formula of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea is C11H15N3O3S.
What is the molecular weight of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea?
The molecular weight of 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea is 269.08 g/mol.
Where can I buy 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea?
You can request a quote for 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-(4-nitro-phenyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.