N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea
TL;DR: N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea (CAS 347909-29-9) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)-3-phenylthiourea
Also Known As: N-(4-METHYL-3-NITROPHENYL)-N'-PHENYLTHIOUREA, 1-(4-methyl-3-nitrophenyl)-3-phenylthiourea, 1-(4-methyl-3-nitro-phenyl)-3-phenyl-thiourea, [(4-methyl-3-nitrophenyl)amino](phenylamino)methane-1-thione, 668-336-6
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.71212 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 644.1222 |
Chemical Identifiers
| CAS Number | 347909-29-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea (CAS 347909-29-9), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)-3-phenylthiourea.
Chemical Property Profile of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea
Property Insights of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea
The XLogP value of 3.71212 indicates that N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea. Following Lipinski's Rule of Five, N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea 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 N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea?
The CAS number of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea is 347909-29-9.
What is the molecular formula of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea?
The molecular formula of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea is C14H13N3O2S.
What is the molecular weight of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea?
The molecular weight of N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea is 287.07 g/mol.
Where can I buy N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea?
You can request a quote for N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methyl-3-nitrophenyl)-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.