3-(4-Ethoxyphenyl)-1,1-dimethylthiourea
TL;DR: 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea (CAS 5304-13-2) is a chemical compound with molecular formula C11H16N2OS and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-1,1-dimethylthiourea
Also Known As: 3-(4-ethoxyphenyl)-1,1-dimethylthiourea, N'-(4-ethoxyphenyl)-N,N-dimethylthiourea, 1,1-dimethyl-3-(4-ethoxyphenyl)-2-thiourea, 1-(4-ethoxyphenyl)-3,3-dimethylthiourea, BAS 00347601
| Molecular Formula | C11H16N2OS |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09833 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5304-13-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)N(C)C |
| InChIKey | BUWULXOJLGNTGU-UHFFFAOYSA-N |
Product Overview
3-(4-Ethoxyphenyl)-1,1-dimethylthiourea (CAS 5304-13-2), with molecular formula C11H16N2OS and molecular weight 224.10 g/mol. IUPAC: 3-(4-ethoxyphenyl)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea
Property Insights of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea. With a topological polar surface area (TPSA) of 56.6 Ų, 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea has 1 hydrogen bond donor(s) and 2 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 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea?
The CAS number of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea is 5304-13-2.
What is the molecular formula of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea?
The molecular formula of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea is C11H16N2OS.
What is the molecular weight of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea?
The molecular weight of 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea is 224.10 g/mol.
Where can I buy 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea?
You can request a quote for 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyphenyl)-1,1-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.