6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one
TL;DR: 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one (CAS 5858-07-1) is a chemical compound with molecular formula C9H7ClOS and molecular weight 197.99062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4-methyl-1-benzothiophen-3-one
Also Known As: 3-Thianaphthenol, 6-chloro-4-methyl-, 6-chloro-4-methyl-1-benzothiophen-3-one, Benzo[b]thiophen-3(2H)-one, 6-chloro-4-methyl-, 6-chloro-4-methyl-3-thianaphtheno, 6-Chloro-4-methylbenzo(b)thiophene-3-ol
Technical Specifications
| Molecular Formula | C9H7ClOS |
| Molecular Weight | 197.99062 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.99062 Da |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
| SMILES | CC1=CC(=CC2=C1C(=O)CS2)Cl |
| InChIKey | UPPUKRIDAPMTRP-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one
Property Insights of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one
The XLogP value of 3.0 indicates that 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one 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
What is the CAS number of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one?
The CAS number of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one is 5858-07-1.
What is the molecular formula of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one?
The molecular formula of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one is C9H7ClOS.
What is the molecular weight of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one?
The molecular weight of 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one is 197.99062 g/mol.
Where can I buy 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one?
You can request a quote for 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.