![2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione structure](/static/products/5316/53162-65-5.webp)
2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione
TL;DR: 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione (CAS 53162-65-5) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione
Also Known As: 2'h-spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione, spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.8206 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 404.75192 |
Chemical Identifiers
| CAS Number | 53162-65-5 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C(=S)N2 |
Product Overview
2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione (CAS 53162-65-5), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione.
Chemical Property Profile of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione
Property Insights of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione
The XLogP value of 2.8206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione. With a topological polar surface area (TPSA) of 12.03 Ų, 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione has 1 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 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione?
The CAS number of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione is 53162-65-5.
What is the molecular formula of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione?
The molecular formula of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione is C13H15NS.
What is the molecular weight of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione?
The molecular weight of 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione is 217.09 g/mol.
Where can I buy 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione?
You can request a quote for 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2'h-Spiro[cyclopentane-1,3'-isoquinoline]-1'(4'h)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.