N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
TL;DR: N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 708291-48-9) is a chemical compound with molecular formula C13H16N2S and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopropyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-cyclopropyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide, N-cyclopropyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, (cyclopropylamino)-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
| Molecular Formula | C13H16N2S |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 2.0816 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10342 |
| Heavy Atoms | 16 |
| Complexity | 412.14856 |
Chemical Identifiers
| CAS Number | 708291-48-9 |
|---|---|
| SMILES | C1CC1NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 708291-48-9), with molecular formula C13H16N2S and molecular weight 232.10 g/mol. IUPAC: N-cyclopropyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
Property Insights of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
The XLogP value of 2.0816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide 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-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The CAS number of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 708291-48-9.
What is the molecular formula of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular formula of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is C13H16N2S.
What is the molecular weight of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular weight of N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 232.10 g/mol.
Where can I buy N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
You can request a quote for N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.