2,3,6-Trimethyl-benzothiophene
TL;DR: 2,3,6-Trimethyl-benzothiophene (CAS 91144-23-9) 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.
2,3,6-trimethyl-1-benzothiophene
Also Known As: 2,3,6-trimethyl-benzothiophene, Benzothiophene, 2,3,6-trimethyl, 2,3,6-Trimethyl-thionaphthen, 2,3,6-Trimethylbenzothiophene, 2,3,6-trimethyl-1-benzothiophene
| Molecular Formula | C11H12S |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 3.82656 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.06598 |
| Heavy Atoms | 12 |
| Complexity | 423.74188 |
Chemical Identifiers
| CAS Number | 91144-23-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C)C |
Product Overview
2,3,6-Trimethyl-benzothiophene (CAS 91144-23-9), with molecular formula C11H12S and molecular weight 176.07 g/mol. IUPAC: 2,3,6-trimethyl-1-benzothiophene.
Chemical Property Profile of 2,3,6-Trimethyl-benzothiophene
Property Insights of 2,3,6-Trimethyl-benzothiophene
The XLogP value of 3.82656 indicates that 2,3,6-Trimethyl-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,6-Trimethyl-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trimethyl-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 2,3,6-Trimethyl-benzothiophene?
The CAS number of 2,3,6-Trimethyl-benzothiophene is 91144-23-9.
What is the molecular formula of 2,3,6-Trimethyl-benzothiophene?
The molecular formula of 2,3,6-Trimethyl-benzothiophene is C11H12S.
What is the molecular weight of 2,3,6-Trimethyl-benzothiophene?
The molecular weight of 2,3,6-Trimethyl-benzothiophene is 176.07 g/mol.
Where can I buy 2,3,6-Trimethyl-benzothiophene?
You can request a quote for 2,3,6-Trimethyl-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trimethyl-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trimethyl-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.