![1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea structure](/static/products/2189/218929-99-8.webp)
1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea
TL;DR: 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea (CAS 218929-99-8) is a chemical compound with molecular formula C13H17F2N3OS and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea
| Molecular Formula | C13H17F2N3OS |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 2.657 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.10605 |
| Heavy Atoms | 20 |
| Complexity | 553.28265 |
Chemical Identifiers
| CAS Number | 218929-99-8 |
|---|---|
| SMILES | CC(=NNC(=S)NC(C)(C)C)C1=C(C(=CC(=C1)F)F)O |
Product Overview
1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea (CAS 218929-99-8), with molecular formula C13H17F2N3OS and molecular weight 301.11 g/mol. IUPAC: 1-tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea.
Chemical Property Profile of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea
Property Insights of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea
The XLogP value of 2.657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea. With a topological polar surface area (TPSA) of 56.65 Ų, 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea has 3 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-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The CAS number of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea is 218929-99-8.
What is the molecular formula of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The molecular formula of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea is C13H17F2N3OS.
What is the molecular weight of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The molecular weight of 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea is 301.11 g/mol.
Where can I buy 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
You can request a quote for 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]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-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-[1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.