Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide
TL;DR: Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide (CAS 6407-02-9) is a chemical compound with molecular formula C12H20O2S and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butylthiophene 1,1-dioxide
Also Known As: 2,5-di-t-butylthiophene-1,1-dioxide, 2,5-ditert-butylthiophene 1,1-dioxide, Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide, 2,5-bis(tert-butyl)thiophene 1,1-dioxide, Thiophene,2,5-bis(1,1-dimethylethyl)-1,1-dioxide
| Molecular Formula | C12H20O2S |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.11841 |
| Heavy Atoms | 15 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 6407-02-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(S1(=O)=O)C(C)(C)C |
| InChIKey | CVUPAIFHFHXFLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide (CAS 6407-02-9), with molecular formula C12H20O2S and molecular weight 228.12 g/mol. IUPAC: 2,5-ditert-butylthiophene 1,1-dioxide.
Chemical Property Profile of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide
Property Insights of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide
The XLogP value of 3.5 indicates that Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 2 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 Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide?
The CAS number of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide is 6407-02-9.
What is the molecular formula of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide?
The molecular formula of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide is C12H20O2S.
What is the molecular weight of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide?
The molecular weight of Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide is 228.12 g/mol.
Where can I buy Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide?
You can request a quote for Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.