3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone
TL;DR: 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone (CAS 156605-69-5) is a chemical compound with molecular formula C22H29N3OS and molecular weight 383.20312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Also Known As: 3-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]-1-phenylthiourea, 3,5-di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone, 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Technical Specifications
| Molecular Formula | C22H29N3OS |
| Molecular Weight | 383.20312 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.20312 Da |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=NNC(=S)NC2=CC=CC=C2 |
| InChIKey | QGSOWXMFJCBIBB-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone
Property Insights of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone
The XLogP value of 6.1 indicates that 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone. Following Lipinski's Rule of Five, 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone?
The CAS number of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone is 156605-69-5.
What is the molecular formula of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone?
The molecular formula of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone is C22H29N3OS.
What is the molecular weight of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone?
The molecular weight of 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone is 383.20312 g/mol.
Where can I buy 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone?
You can request a quote for 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone?
Yes, CoreyChem provides custom synthesis services for 3,5-Di(t-butyl)-4-hydroxybenzaldehyde 4-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.