Benzo(b)thiophene, 6-acetyl-3-methyl-
TL;DR: Benzo(b)thiophene, 6-acetyl-3-methyl- (CAS 18798-91-9) is a chemical compound with molecular formula C11H10OS and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-1-benzothiophen-6-yl)ethanone
Also Known As: Benzo(b)thiophene, 6-acetyl-3-methyl-, 1-(3-methyl-1-benzothiophen-6-yl)ethanone, Ethanone, 1-(3-methylbenzo[b]thien-6-yl)-, 1-(3-Methyl-1-benzothiophen-6-yl)ethan-1-one
| Molecular Formula | C11H10OS |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04524 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 18798-91-9 |
|---|---|
| SMILES | CC1=CSC2=C1C=CC(=C2)C(=O)C |
| InChIKey | IECBOYOESKNHPD-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene, 6-acetyl-3-methyl- (CAS 18798-91-9), with molecular formula C11H10OS and molecular weight 190.05 g/mol. IUPAC: 1-(3-methyl-1-benzothiophen-6-yl)ethanone.
Chemical Property Profile of Benzo(b)thiophene, 6-acetyl-3-methyl-
Property Insights of Benzo(b)thiophene, 6-acetyl-3-methyl-
The XLogP value of 3.0 indicates that Benzo(b)thiophene, 6-acetyl-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, Benzo(b)thiophene, 6-acetyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, 6-acetyl-3-methyl- has 0 hydrogen bond donor(s) and 2 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 Benzo(b)thiophene, 6-acetyl-3-methyl-?
The CAS number of Benzo(b)thiophene, 6-acetyl-3-methyl- is 18798-91-9.
What is the molecular formula of Benzo(b)thiophene, 6-acetyl-3-methyl-?
The molecular formula of Benzo(b)thiophene, 6-acetyl-3-methyl- is C11H10OS.
What is the molecular weight of Benzo(b)thiophene, 6-acetyl-3-methyl-?
The molecular weight of Benzo(b)thiophene, 6-acetyl-3-methyl- is 190.05 g/mol.
Where can I buy Benzo(b)thiophene, 6-acetyl-3-methyl-?
You can request a quote for Benzo(b)thiophene, 6-acetyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene, 6-acetyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, 6-acetyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.