5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione
TL;DR: 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione (CAS 17615-30-4) is a chemical compound with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1-benzothiophene 1,1-dioxide
Also Known As: 5-Chloro-3-methyl-1H-benzo[b]thiophene-1,1-dione, 3,4-Difluoroanisole, Maybridge1_004776, 5-chloro-3-methylbenzo[b]thiophene 1,1-dioxide, 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide
| Molecular Formula | C9H7ClO2S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.98553 |
| Heavy Atoms | 13 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 17615-30-4 |
|---|---|
| SMILES | CC1=CS(=O)(=O)C2=C1C=C(C=C2)Cl |
| InChIKey | GYZFDGWHPWNEKL-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione (CAS 17615-30-4), with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol. IUPAC: 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione
Property Insights of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione 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 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione?
The CAS number of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione is 17615-30-4.
What is the molecular formula of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione?
The molecular formula of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione is C9H7ClO2S.
What is the molecular weight of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione?
The molecular weight of 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione is 213.99 g/mol.
Where can I buy 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione?
You can request a quote for 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.