1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene
TL;DR: 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene (CAS 17739-77-4) is a chemical compound with molecular formula C8H14S and molecular weight 142.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene
Also Known As: Benzo[c]thiophene, octahydro-, cis-, 1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene
| Molecular Formula | C8H14S |
|---|---|
| Molecular Weight | 142.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.08162 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 17739-77-4 |
|---|---|
| SMILES | C1CCC2CSCC2C1 |
| InChIKey | SJXUGVWKLLOJDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene (CAS 17739-77-4), with molecular formula C8H14S and molecular weight 142.08 g/mol. IUPAC: 1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene.
Chemical Property Profile of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene
Property Insights of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene. With a topological polar surface area (TPSA) of 25.3 Ų, 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene has 0 hydrogen bond donor(s) and 1 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 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene?
The CAS number of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene is 17739-77-4.
What is the molecular formula of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene?
The molecular formula of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene is C8H14S.
What is the molecular weight of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene?
The molecular weight of 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene is 142.08 g/mol.
Where can I buy 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene?
You can request a quote for 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.