3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide
TL;DR: 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide (CAS 6575-37-7) is a chemical compound with molecular formula C9H6Cl2O2S and molecular weight 247.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-2-methyl-1-benzothiophene 1,1-dioxide
Also Known As: 3,6-dichloro-2-methyl-1-benzothiophene 1,1-dioxide, 3,6-dichloro-2-methyl-1H-1-benzothiophene-1,1-dione, 3,6-dichloro-2-methyl-1LAMBDA-benzothiophene-1,1-dione, 3,6-dichloro-2-methylbenzo[b]thiole-1,1-dione, 3,6-Dichloro-2-methylbenzo[b]thiophene 1,1-dioxide
| Molecular Formula | C9H6Cl2O2S |
|---|---|
| Molecular Weight | 247.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.94655 |
| Heavy Atoms | 14 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 6575-37-7 |
|---|---|
| SMILES | CC1=C(C2=C(S1(=O)=O)C=C(C=C2)Cl)Cl |
| InChIKey | CTPRGOXKDZZTJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide (CAS 6575-37-7), with molecular formula C9H6Cl2O2S and molecular weight 247.95 g/mol. IUPAC: 3,6-dichloro-2-methyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide
Property Insights of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide 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 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide?
The CAS number of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide is 6575-37-7.
What is the molecular formula of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide?
The molecular formula of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide is C9H6Cl2O2S.
What is the molecular weight of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide?
The molecular weight of 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide is 247.95 g/mol.
Where can I buy 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide?
You can request a quote for 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-2-methyl-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.