2-(Propan-2-yl)-1-benzothiophene
TL;DR: 2-(Propan-2-yl)-1-benzothiophene (CAS 39743-75-4) is a chemical compound with molecular formula C11H12S and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-1-benzothiophene
Also Known As: 2-(propan-2-yl)-1-benzothiophene, 2-isopropylbenzothiophene, 2-i-Propylbenzo[b]thiophene, 2-isopropyl-1-benzothiophene, 2-i-propyl-benzo[b]thiophene
| Molecular Formula | C11H12S |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06598 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 39743-75-4 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=CC=C2S1 |
| InChIKey | LPCZLJKNCRRQFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Propan-2-yl)-1-benzothiophene (CAS 39743-75-4), with molecular formula C11H12S and molecular weight 176.07 g/mol. IUPAC: 2-propan-2-yl-1-benzothiophene.
Chemical Property Profile of 2-(Propan-2-yl)-1-benzothiophene
Property Insights of 2-(Propan-2-yl)-1-benzothiophene
The XLogP value of 4.1 indicates that 2-(Propan-2-yl)-1-benzothiophene 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-(Propan-2-yl)-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Propan-2-yl)-1-benzothiophene 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-(Propan-2-yl)-1-benzothiophene?
The CAS number of 2-(Propan-2-yl)-1-benzothiophene is 39743-75-4.
What is the molecular formula of 2-(Propan-2-yl)-1-benzothiophene?
The molecular formula of 2-(Propan-2-yl)-1-benzothiophene is C11H12S.
What is the molecular weight of 2-(Propan-2-yl)-1-benzothiophene?
The molecular weight of 2-(Propan-2-yl)-1-benzothiophene is 176.07 g/mol.
Where can I buy 2-(Propan-2-yl)-1-benzothiophene?
You can request a quote for 2-(Propan-2-yl)-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Propan-2-yl)-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propan-2-yl)-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.