![1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea structure](/static/products/218/218457-53-5.png)
1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea
TL;DR: 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea (CAS 218457-53-5) is a chemical compound with molecular formula C12H15Br2N3OS and molecular weight 406.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea
Also Known As: N1-(tert-butyl)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazine-1-carbothioamide, Hydrazinecarbothioamide,2-[(3,5-dibromo-2-hydroxyphenyl)methylene]-N-(1,1-dimethylethyl)-
| Molecular Formula | C12H15Br2N3OS |
|---|---|
| Molecular Weight | 406.93 g/mol |
| LogP | 3.5137 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.93027 |
| Heavy Atoms | 19 |
| Complexity | 512.43134 |
Chemical Identifiers
| CAS Number | 218457-53-5 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NN=CC1=C(C(=CC(=C1)Br)Br)O |
Product Overview
1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea (CAS 218457-53-5), with molecular formula C12H15Br2N3OS and molecular weight 406.93 g/mol. IUPAC: 1-tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea
Property Insights of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea
The XLogP value of 3.5137 indicates that 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]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-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea?
The CAS number of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea is 218457-53-5.
What is the molecular formula of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea?
The molecular formula of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea is C12H15Br2N3OS.
What is the molecular weight of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea?
The molecular weight of 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea is 406.93 g/mol.
Where can I buy 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea?
You can request a quote for 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]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-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.