3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide (CAS 112163-13-0) is a chemical compound with molecular formula C15H23NOS and molecular weight 265.15002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butyl-4-hydroxybenzenecarbothioamide
Also Known As: starbld0012222, 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide, 3,5-Di-tert-butyl-4-hydroxybenzothioamide, 3,5-ditert-butyl-4-hydroxybenzenecarbothioamide, 3,5-ditert-butyl-4-hydroxy-benzenecarbothioamide
Technical Specifications
| Molecular Formula | C15H23NOS |
| Molecular Weight | 265.15002 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.15002 Da |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)N |
| InChIKey | QTAATCAJHDDGNM-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
The XLogP value of 4.4 indicates that 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide 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
What is the CAS number of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is 112163-13-0.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is C15H23NOS.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is 265.15002 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.