2,3-Ditert-butylthiophene
TL;DR: 2,3-Ditert-butylthiophene (CAS 128788-04-5) is a chemical compound with molecular formula C12H20S and molecular weight 196.12857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-ditert-butylthiophene
Also Known As: 2,3-ditert-butylthiophene, di-t-butylthiophene, 2,3-di-tert-butylthiophene, 2,3-di-t-butylthiophene, 3-Chloro-5-(trifluoromethyl)-2(3H)-pyridinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20S |
| Molecular Weight | 196.12857 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.12857 Da |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
| SMILES | CC(C)(C)C1=C(SC=C1)C(C)(C)C |
| InChIKey | UGSHDMAFOIOKNY-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Ditert-butylthiophene
Property Insights of 2,3-Ditert-butylthiophene
The XLogP value of 5.0 indicates that 2,3-Ditert-butylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,3-Ditert-butylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Ditert-butylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Ditert-butylthiophene?
The CAS number of 2,3-Ditert-butylthiophene is 128788-04-5.
What is the molecular formula of 2,3-Ditert-butylthiophene?
The molecular formula of 2,3-Ditert-butylthiophene is C12H20S.
What is the molecular weight of 2,3-Ditert-butylthiophene?
The molecular weight of 2,3-Ditert-butylthiophene is 196.12857 g/mol.
Where can I buy 2,3-Ditert-butylthiophene?
You can request a quote for 2,3-Ditert-butylthiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Ditert-butylthiophene?
Yes, CoreyChem provides custom synthesis services for 2,3-Ditert-butylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.