Benzo(b)thiophene 1,1-dioxide, 3-methyl-
TL;DR: Benzo(b)thiophene 1,1-dioxide, 3-methyl- (CAS 6406-91-3) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzothiophene 1,1-dioxide
Also Known As: 3-Methylbenzothiophene 1,1-dioxide, 3-methyl-1, 3-Methylbenzo[b]thiophene 1,1-dioxide, 3-Methylbenzo[b]thiophene dioxide, 3-Methyl-1-benzothiophene 1,1-dioxide
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 6406-91-3 |
|---|---|
| SMILES | CC1=CS(=O)(=O)C2=CC=CC=C12 |
| InChIKey | DCAZNDCIMXHKOS-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene 1,1-dioxide, 3-methyl- (CAS 6406-91-3), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: 3-methyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of Benzo(b)thiophene 1,1-dioxide, 3-methyl-
Property Insights of Benzo(b)thiophene 1,1-dioxide, 3-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene 1,1-dioxide, 3-methyl-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzo(b)thiophene 1,1-dioxide, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene 1,1-dioxide, 3-methyl- 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 Benzo(b)thiophene 1,1-dioxide, 3-methyl-?
The CAS number of Benzo(b)thiophene 1,1-dioxide, 3-methyl- is 6406-91-3.
What is the molecular formula of Benzo(b)thiophene 1,1-dioxide, 3-methyl-?
The molecular formula of Benzo(b)thiophene 1,1-dioxide, 3-methyl- is C9H8O2S.
What is the molecular weight of Benzo(b)thiophene 1,1-dioxide, 3-methyl-?
The molecular weight of Benzo(b)thiophene 1,1-dioxide, 3-methyl- is 180.02 g/mol.
Where can I buy Benzo(b)thiophene 1,1-dioxide, 3-methyl-?
You can request a quote for Benzo(b)thiophene 1,1-dioxide, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene 1,1-dioxide, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene 1,1-dioxide, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.