Methylbenzothiophene
TL;DR: Methylbenzothiophene (CAS 16587-47-6) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1-benzothiophene
Also Known As: 6-Methylbenzo[b]thiophene, 6-Methylbenzothiophene, 6-Methyl-1-benzothiophene, Benzo[b]thiophene, 6-methyl-, zlchem 62
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 16587-47-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CS2 |
| InChIKey | WOGMIMNVXACKEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylbenzothiophene (CAS 16587-47-6), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 6-methyl-1-benzothiophene.
Chemical Property Profile of Methylbenzothiophene
Property Insights of Methylbenzothiophene
The XLogP value of 3.3 indicates that Methylbenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Methylbenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylbenzothiophene 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 Methylbenzothiophene?
The CAS number of Methylbenzothiophene is 16587-47-6.
What is the molecular formula of Methylbenzothiophene?
The molecular formula of Methylbenzothiophene is C9H8S.
What is the molecular weight of Methylbenzothiophene?
The molecular weight of Methylbenzothiophene is 148.03 g/mol.
Where can I buy Methylbenzothiophene?
You can request a quote for Methylbenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylbenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for Methylbenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.