2,5-Di-tert-butylthiophene
TL;DR: 2,5-Di-tert-butylthiophene (CAS 1689-77-6) is a chemical compound with molecular formula C12H20S and molecular weight 196.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butylthiophene
Also Known As: 2,5-Di-tert-butylthiophene, 2,5-ditert-butylthiophene, 2,5-Diisobutylthiophene, Thiophene, 2,5-bis(1,1-dimethylethyl)-, Thiophene, 2,5-di-tert-butyl-
| Molecular Formula | C12H20S |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.12857 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1689-77-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(S1)C(C)(C)C |
| InChIKey | ISYGRXKYALZEIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Di-tert-butylthiophene (CAS 1689-77-6), with molecular formula C12H20S and molecular weight 196.13 g/mol. IUPAC: 2,5-ditert-butylthiophene.
Chemical Property Profile of 2,5-Di-tert-butylthiophene
Property Insights of 2,5-Di-tert-butylthiophene
The XLogP value of 5.0 indicates that 2,5-Di-tert-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, 2,5-Di-tert-butylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Di-tert-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
Frequently Asked Questions
What is the CAS number of 2,5-Di-tert-butylthiophene?
The CAS number of 2,5-Di-tert-butylthiophene is 1689-77-6.
What is the molecular formula of 2,5-Di-tert-butylthiophene?
The molecular formula of 2,5-Di-tert-butylthiophene is C12H20S.
What is the molecular weight of 2,5-Di-tert-butylthiophene?
The molecular weight of 2,5-Di-tert-butylthiophene is 196.13 g/mol.
Where can I buy 2,5-Di-tert-butylthiophene?
You can request a quote for 2,5-Di-tert-butylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Di-tert-butylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Di-tert-butylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.