(3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide
TL;DR: (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide (CAS 165727-66-2) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aR)-1,3,3a,7a-tetrahydro-2-benzothiophene 2,2-dioxide
Also Known As: cis-8-thiabicyclo[4.3.0]nona-2,4-diene 8,8-dioxide, (1S,6S)-8$l^{6}-thiabicyclo[4.3.0]nona-2,4-diene 8,8-dioxide, (3AR,7AS)-1,3,3A,7A-TETRAHYDRO-2-BENZOTHIOPHENE 2,2-DIOXIDE
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.7732 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 284.98376 |
Chemical Identifiers
| CAS Number | 165727-66-2 |
|---|---|
| SMILES | C1[C@@H]2C=CC=C[C@@H]2CS1(=O)=O |
Product Overview
(3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide (CAS 165727-66-2), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: (3aS,7aR)-1,3,3a,7a-tetrahydro-2-benzothiophene 2,2-dioxide.
Chemical Property Profile of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide
Property Insights of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide
The XLogP value of 0.7732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-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 (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide?
The CAS number of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide is 165727-66-2.
What is the molecular formula of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide?
The molecular formula of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide is C8H10O2S.
What is the molecular weight of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide?
The molecular weight of (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide is 170.04 g/mol.
Where can I buy (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide?
You can request a quote for (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (3AR,7AS)-1,3,3A,7A-Tetrahydro-2-benzothiophene 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.