3,6-Dimethyl-1-benzothiophene
TL;DR: 3,6-Dimethyl-1-benzothiophene (CAS 16587-50-1) is a chemical compound with molecular formula C10H10S and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-1-benzothiophene
Also Known As: 3,6-Dimethyl-1-benzothiophene, 3,6-Dimethylbenzo[b]thiophene, Benzo[b]thiophene, 3,6-dimethyl-, Benzothiophene, 3,6-dimethyl, 3,6-Dimethyl-benzo[b]thiophen
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05032 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 16587-50-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CS2)C |
| InChIKey | PMTCJOMGGOAEBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dimethyl-1-benzothiophene (CAS 16587-50-1), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: 3,6-dimethyl-1-benzothiophene.
Chemical Property Profile of 3,6-Dimethyl-1-benzothiophene
Property Insights of 3,6-Dimethyl-1-benzothiophene
The XLogP value of 3.7 indicates that 3,6-Dimethyl-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, 3,6-Dimethyl-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-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 3,6-Dimethyl-1-benzothiophene?
The CAS number of 3,6-Dimethyl-1-benzothiophene is 16587-50-1.
What is the molecular formula of 3,6-Dimethyl-1-benzothiophene?
The molecular formula of 3,6-Dimethyl-1-benzothiophene is C10H10S.
What is the molecular weight of 3,6-Dimethyl-1-benzothiophene?
The molecular weight of 3,6-Dimethyl-1-benzothiophene is 162.05 g/mol.
Where can I buy 3,6-Dimethyl-1-benzothiophene?
You can request a quote for 3,6-Dimethyl-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.