![5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one structure](/static/products/5858/5858-19-5.webp)
5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one
TL;DR: 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one (CAS 5858-19-5) is a chemical compound with molecular formula C9H6Cl2OS and molecular weight 231.95164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dichloro-4-methyl-1-benzothiophen-3-one
Also Known As: 5,7-dichloro-4-methylbenzo[b]thiophene-3(2h)-one, 5,7-dichloro-4-methyl-1-benzothiophen-3-one, 5,7-dichloro-4-methyl-1-benzothiophen-3(2h)-one, 5,7-Dichloro-4-methylbenzo[b]thiophen-3(2H)-one, 5,7-Dichloro-4-methylbenzo(b)thiophene-3(2H)-one
Technical Specifications
| Molecular Formula | C9H6Cl2OS |
| Molecular Weight | 231.95164 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.95164 Da |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
| SMILES | CC1=C2C(=O)CSC2=C(C=C1Cl)Cl |
| InChIKey | PYRFUPKTUOWRGF-UHFFFAOYSA-N |
Chemical Property Profile of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one
Property Insights of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one
The XLogP value of 3.6 indicates that 5,7-Dichloro-4-methylbenzo[b]thiophene-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, 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dichloro-4-methylbenzo[b]thiophene-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 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one?
The CAS number of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one is 5858-19-5.
What is the molecular formula of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one?
The molecular formula of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one is C9H6Cl2OS.
What is the molecular weight of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one?
The molecular weight of 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one is 231.95164 g/mol.
Where can I buy 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one?
You can request a quote for 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one?
Yes, CoreyChem provides custom synthesis services for 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.