1,3-Dihydro-2-benzothiophene 2-oxide
TL;DR: 1,3-Dihydro-2-benzothiophene 2-oxide (CAS 3552-69-0) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydro-2-benzothiophene 2-oxide
Also Known As: 2-Thiaindan S-oxide, 1,3-Dihydro-2-benzothiophene 2-oxide, starbld0014607, 1,3-Dihydrobenzo[c]thiophene 2-oxide, 1,3-dihydrobenzo[c]thiophene-2-oxide
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 3552-69-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2CS1=O |
| InChIKey | YYVPARHZEAEOHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-2-benzothiophene 2-oxide (CAS 3552-69-0), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 1,3-dihydro-2-benzothiophene 2-oxide.
Chemical Property Profile of 1,3-Dihydro-2-benzothiophene 2-oxide
Property Insights of 1,3-Dihydro-2-benzothiophene 2-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-2-benzothiophene 2-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, 1,3-Dihydro-2-benzothiophene 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-2-benzothiophene 2-oxide 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-2-benzothiophene 2-oxide?
The CAS number of 1,3-Dihydro-2-benzothiophene 2-oxide is 3552-69-0.
What is the molecular formula of 1,3-Dihydro-2-benzothiophene 2-oxide?
The molecular formula of 1,3-Dihydro-2-benzothiophene 2-oxide is C8H8OS.
What is the molecular weight of 1,3-Dihydro-2-benzothiophene 2-oxide?
The molecular weight of 1,3-Dihydro-2-benzothiophene 2-oxide is 152.03 g/mol.
Where can I buy 1,3-Dihydro-2-benzothiophene 2-oxide?
You can request a quote for 1,3-Dihydro-2-benzothiophene 2-oxide 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-2-benzothiophene 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-2-benzothiophene 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.