2-(2,2-Dimethylpropyl)thiophene
TL;DR: 2-(2,2-Dimethylpropyl)thiophene (CAS 4891-29-6) is a chemical compound with molecular formula C9H14S and molecular weight 154.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropyl)thiophene
Also Known As: 2-(2,2-dimethylpropyl)thiophene, Thiophene, 2-neopentyl-, 2-Neopentylthiophene, 2- thiophene, 5-neopentylthiophene
| Molecular Formula | C9H14S |
|---|---|
| Molecular Weight | 154.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.08162 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4891-29-6 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=CS1 |
| InChIKey | CKEFAAZAPOLRPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,2-Dimethylpropyl)thiophene (CAS 4891-29-6), with molecular formula C9H14S and molecular weight 154.08 g/mol. IUPAC: 2-(2,2-dimethylpropyl)thiophene.
Chemical Property Profile of 2-(2,2-Dimethylpropyl)thiophene
Property Insights of 2-(2,2-Dimethylpropyl)thiophene
The XLogP value of 4.1 indicates that 2-(2,2-Dimethylpropyl)thiophene 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-(2,2-Dimethylpropyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropyl)thiophene 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-(2,2-Dimethylpropyl)thiophene?
The CAS number of 2-(2,2-Dimethylpropyl)thiophene is 4891-29-6.
What is the molecular formula of 2-(2,2-Dimethylpropyl)thiophene?
The molecular formula of 2-(2,2-Dimethylpropyl)thiophene is C9H14S.
What is the molecular weight of 2-(2,2-Dimethylpropyl)thiophene?
The molecular weight of 2-(2,2-Dimethylpropyl)thiophene is 154.08 g/mol.
Where can I buy 2-(2,2-Dimethylpropyl)thiophene?
You can request a quote for 2-(2,2-Dimethylpropyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.