N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 351163-76-3) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: BAS 02232216, N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, 3,4-Dihydro-1H-isoquinoline-2-carbothioic acid ethylamide, (ethylamino)-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 1.9391 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 362.39468 |
Chemical Identifiers
| CAS Number | 351163-76-3 |
|---|---|
| SMILES | CCNC(=S)N1CCC2=CC=CC=C2C1 |
Product Overview
N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 351163-76-3), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 1.9391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide 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 N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 351163-76-3.
What is the molecular formula of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C12H16N2S.
What is the molecular weight of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 220.10 g/mol.
Where can I buy N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.