1-Tert-butyl-3-(2-nitrophenyl)thiourea
TL;DR: 1-Tert-butyl-3-(2-nitrophenyl)thiourea (CAS 99137-28-7) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(2-nitrophenyl)thiourea
Also Known As: 2-nitrophenyl(t-butyl)thiourea, 1-tert-butyl-3-(2-nitrophenyl)thiourea
| Molecular Formula | C11H15N3O2S |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.6797 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0885 |
| Heavy Atoms | 17 |
| Complexity | 440.58783 |
Chemical Identifiers
| CAS Number | 99137-28-7 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
1-Tert-butyl-3-(2-nitrophenyl)thiourea (CAS 99137-28-7), with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol. IUPAC: 1-tert-butyl-3-(2-nitrophenyl)thiourea.
Chemical Property Profile of 1-Tert-butyl-3-(2-nitrophenyl)thiourea
Property Insights of 1-Tert-butyl-3-(2-nitrophenyl)thiourea
The XLogP value of 2.6797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(2-nitrophenyl)thiourea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tert-butyl-3-(2-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(2-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-Tert-butyl-3-(2-nitrophenyl)thiourea?
The CAS number of 1-Tert-butyl-3-(2-nitrophenyl)thiourea is 99137-28-7.
What is the molecular formula of 1-Tert-butyl-3-(2-nitrophenyl)thiourea?
The molecular formula of 1-Tert-butyl-3-(2-nitrophenyl)thiourea is C11H15N3O2S.
What is the molecular weight of 1-Tert-butyl-3-(2-nitrophenyl)thiourea?
The molecular weight of 1-Tert-butyl-3-(2-nitrophenyl)thiourea is 253.09 g/mol.
Where can I buy 1-Tert-butyl-3-(2-nitrophenyl)thiourea?
You can request a quote for 1-Tert-butyl-3-(2-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-3-(2-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(2-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.