2-Methylbenzo(b)thiophene
TL;DR: 2-Methylbenzo(b)thiophene (CAS 1195-14-8) 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.
2-methyl-1-benzothiophene
Also Known As: 2-Methylbenzo[b]thiophene, 2-Methylthianaphthene, 2-Methyl-1-benzothiophene, 2-Methylbenzothiophene, 2-Methylthioindene
| 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 | 1195-14-8 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2S1 |
| InChIKey | BLZKSRBAQDZAIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbenzo(b)thiophene (CAS 1195-14-8), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 2-methyl-1-benzothiophene.
Chemical Property Profile of 2-Methylbenzo(b)thiophene
Property Insights of 2-Methylbenzo(b)thiophene
The XLogP value of 3.3 indicates that 2-Methylbenzo(b)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-Methylbenzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzo(b)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-Methylbenzo(b)thiophene?
The CAS number of 2-Methylbenzo(b)thiophene is 1195-14-8.
What is the molecular formula of 2-Methylbenzo(b)thiophene?
The molecular formula of 2-Methylbenzo(b)thiophene is C9H8S.
What is the molecular weight of 2-Methylbenzo(b)thiophene?
The molecular weight of 2-Methylbenzo(b)thiophene is 148.03 g/mol.
Where can I buy 2-Methylbenzo(b)thiophene?
You can request a quote for 2-Methylbenzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.