1-Methyl-3-(4-nitrophenyl)thiourea
TL;DR: 1-Methyl-3-(4-nitrophenyl)thiourea (CAS 16361-69-6) is a chemical compound with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(4-nitrophenyl)thiourea
Also Known As: 1-methyl-3-(4-nitrophenyl)thiourea, N-methyl-N'-(4-nitrophenyl)thiourea, Thiourea, N-methyl-N'-(4-nitrophenyl)-, 1-(4-Nitrophenyl)-3-methylthiourea, N-(4-Nitrophenyl)-N -methylthiourea
| Molecular Formula | C8H9N3O2S |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.511 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04155 |
| Heavy Atoms | 14 |
| Complexity | 350.10895 |
Chemical Identifiers
| CAS Number | 16361-69-6 |
|---|---|
| SMILES | CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-Methyl-3-(4-nitrophenyl)thiourea (CAS 16361-69-6), with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol. IUPAC: 1-methyl-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-Methyl-3-(4-nitrophenyl)thiourea
Property Insights of 1-Methyl-3-(4-nitrophenyl)thiourea
The XLogP value of 1.511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(4-nitrophenyl)thiourea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-Methyl-3-(4-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-Methyl-3-(4-nitrophenyl)thiourea?
The CAS number of 1-Methyl-3-(4-nitrophenyl)thiourea is 16361-69-6.
What is the molecular formula of 1-Methyl-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-Methyl-3-(4-nitrophenyl)thiourea is C8H9N3O2S.
What is the molecular weight of 1-Methyl-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-Methyl-3-(4-nitrophenyl)thiourea is 211.04 g/mol.
Where can I buy 1-Methyl-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-Methyl-3-(4-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-Methyl-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.