S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate
TL;DR: S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate (CAS 134784-73-9) is a chemical compound with molecular formula C19H22OS and molecular weight 298.13913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate
Also Known As: S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate, S-phenethyl 4-tert-butylbenzenecarbothioate, AQ-917/42754699
Technical Specifications
| Molecular Formula | C19H22OS |
| Molecular Weight | 298.13913 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13913 Da |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)SCCC2=CC=CC=C2 |
| InChIKey | VPWSJMSODHLINJ-UHFFFAOYSA-N |
Chemical Property Profile of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate
Property Insights of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate
The XLogP value of 5.9 indicates that S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate?
The CAS number of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate is 134784-73-9.
What is the molecular formula of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate?
The molecular formula of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate is C19H22OS.
What is the molecular weight of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate?
The molecular weight of S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate is 298.13913 g/mol.
Where can I buy S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate?
You can request a quote for S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate?
Yes, CoreyChem provides custom synthesis services for S-(2-phenylethyl) 4-tert-butylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.