3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide
TL;DR: 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide (CAS 6578-12-7) 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.
3-chloro-2-methyl-1-benzothiophene 1,1-dioxide
Also Known As: 3-chloro-2-methyl-1-benzothiophene 1,1-dioxide, BAS 00751347, 3-chloro-2-methylbenzo[b]thiole-1,1-dione, benzo[b]thiophene, 3-chloro-2-methyl-, 1,1-dioxide, 3-Chloro-2-methyl-benzo[b]thiophene 1,1-dioxide
| Molecular Formula | C9H7ClO2S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 2.4012 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.98553 |
| Heavy Atoms | 13 |
| Complexity | 500.10092 |
Chemical Identifiers
| CAS Number | 6578-12-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2S1(=O)=O)Cl |
Product Overview
3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide (CAS 6578-12-7), with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol. IUPAC: 3-chloro-2-methyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide
Property Insights of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide
The XLogP value of 2.4012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-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-Chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The CAS number of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide is 6578-12-7.
What is the molecular formula of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The molecular formula of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide is C9H7ClO2S.
What is the molecular weight of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The molecular weight of 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide is 213.99 g/mol.
Where can I buy 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide?
You can request a quote for 3-Chloro-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-Chloro-2-methyl-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.