1-Tert-butyl-3-(4-ethoxyphenyl)thiourea
TL;DR: 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea (CAS 326013-98-3) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(4-ethoxyphenyl)thiourea
Also Known As: 1-tert-butyl-3-(4-ethoxyphenyl)thiourea, F0807-0427, (E)-(tert-butylamino)(p-ethoxyphenylimino)methanethiol, (E)-N-(tert-butyl)-N'-(4-ethoxyphenyl)carbamimidothioic acid, (E)-N-tert-butyl-N'-(4-ethoxyphenyl)carbamimidothioic acid
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.1702 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 368.001 |
Chemical Identifiers
| CAS Number | 326013-98-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)NC(C)(C)C |
Product Overview
1-Tert-butyl-3-(4-ethoxyphenyl)thiourea (CAS 326013-98-3), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: 1-tert-butyl-3-(4-ethoxyphenyl)thiourea.
Chemical Property Profile of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea
Property Insights of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea
The XLogP value of 3.1702 indicates that 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea has 2 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 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea?
The CAS number of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea is 326013-98-3.
What is the molecular formula of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea?
The molecular formula of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea is C13H20N2OS.
What is the molecular weight of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea?
The molecular weight of 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea is 252.13 g/mol.
Where can I buy 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea?
You can request a quote for 1-Tert-butyl-3-(4-ethoxyphenyl)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-(4-ethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(4-ethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.