1,3-Dihydro-2lambda6-benzothiophene-2,2-dione
TL;DR: 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione (CAS 2471-91-2) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydro-2-benzothiophene 2,2-dioxide
Also Known As: 1,3-DIHYDROBENZO[C]THIOPHENE 2,2-DIOXIDE, 1,3-dihydro-2-benzothiophene 2,2-dioxide, 1,3-dihydro-2lambda6-benzothiophene-2,2-dione, Benzo[c]thiophene, 1,3-dihydro-, 2,2-dioxide, 1,3-dihydrobenzo[c]thiophene-2,2-dioxide
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 2471-91-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2CS1(=O)=O |
| InChIKey | RBXWSNGDUIKIQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-2lambda6-benzothiophene-2,2-dione (CAS 2471-91-2), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 1,3-dihydro-2-benzothiophene 2,2-dioxide.
Chemical Property Profile of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione
Property Insights of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-2lambda6-benzothiophene-2,2-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 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione?
The CAS number of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione is 2471-91-2.
What is the molecular formula of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione?
The molecular formula of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione is C8H8O2S.
What is the molecular weight of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione?
The molecular weight of 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione is 168.02 g/mol.
Where can I buy 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione?
You can request a quote for 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-2lambda6-benzothiophene-2,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.