3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione
TL;DR: 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione (CAS 313963-00-7) is a chemical compound with molecular formula C14H19NS and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-3-methyl-2,4-dihydroisoquinoline-1-thione
Also Known As: BAS 00899333, 3-butyl-3-methyl-2,4-dihydroisoquinoline-1-thione, 3-butyl-3-methyl-3,4-dihydro-1(2H)-isoquinolinethione, 3-Butyl-3-methyl-3,4-dihydro-2H-isoquinoline-1-thione
| Molecular Formula | C14H19NS |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 3.4567 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.12383 |
| Heavy Atoms | 16 |
| Complexity | 399.47675 |
Chemical Identifiers
| CAS Number | 313963-00-7 |
|---|---|
| SMILES | CCCCC1(CC2=CC=CC=C2C(=S)N1)C |
Product Overview
3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione (CAS 313963-00-7), with molecular formula C14H19NS and molecular weight 233.12 g/mol. IUPAC: 3-butyl-3-methyl-2,4-dihydroisoquinoline-1-thione.
Chemical Property Profile of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione
Property Insights of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione
The XLogP value of 3.4567 indicates that 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-3-methyl-2,4-dihydroisoquinoline-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 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione?
The CAS number of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione is 313963-00-7.
What is the molecular formula of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione?
The molecular formula of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione is C14H19NS.
What is the molecular weight of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione?
The molecular weight of 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione is 233.12 g/mol.
Where can I buy 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione?
You can request a quote for 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-3-methyl-2,4-dihydroisoquinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.