1,2,3,4-Tetrahydroisoquinoline-1-thione
TL;DR: 1,2,3,4-Tetrahydroisoquinoline-1-thione (CAS 6552-60-9) is a chemical compound with molecular formula C9H9NS and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-isoquinoline-1-thione
Also Known As: 1,2,3,4-tetrahydroisoquinoline-1-thione, 3,4-dihydro-2H-isoquinoline-1-thione, 3,4-dihydroisoquinoline-1(2H)-thione, 3,4-dihydroisoquinoline-1-thiol, 1-Thio-3,4-dihydroisocarbostyryl
| Molecular Formula | C9H9NS |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 1.5078 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.04558 |
| Heavy Atoms | 11 |
| Complexity | 293.36914 |
Chemical Identifiers
| CAS Number | 6552-60-9 |
|---|---|
| SMILES | C1CNC(=S)C2=CC=CC=C21 |
Product Overview
1,2,3,4-Tetrahydroisoquinoline-1-thione (CAS 6552-60-9), with molecular formula C9H9NS and molecular weight 163.05 g/mol. IUPAC: 3,4-dihydro-2H-isoquinoline-1-thione.
Chemical Property Profile of 1,2,3,4-Tetrahydroisoquinoline-1-thione
Property Insights of 1,2,3,4-Tetrahydroisoquinoline-1-thione
The XLogP value of 1.5078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydroisoquinoline-1-thione. With a topological polar surface area (TPSA) of 12.03 Ų, 1,2,3,4-Tetrahydroisoquinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydroisoquinoline-1-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 1,2,3,4-Tetrahydroisoquinoline-1-thione?
The CAS number of 1,2,3,4-Tetrahydroisoquinoline-1-thione is 6552-60-9.
What is the molecular formula of 1,2,3,4-Tetrahydroisoquinoline-1-thione?
The molecular formula of 1,2,3,4-Tetrahydroisoquinoline-1-thione is C9H9NS.
What is the molecular weight of 1,2,3,4-Tetrahydroisoquinoline-1-thione?
The molecular weight of 1,2,3,4-Tetrahydroisoquinoline-1-thione is 163.05 g/mol.
Where can I buy 1,2,3,4-Tetrahydroisoquinoline-1-thione?
You can request a quote for 1,2,3,4-Tetrahydroisoquinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydroisoquinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydroisoquinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.