methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate
TL;DR: methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate (CAS 87555-66-6) is a chemical compound with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate
Also Known As: methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate, methyl 2-(1-(isoquinolin-1-yl)ethyl)hydrazine-1-carbodithioate, methyl N-[1-(1-isoquinolyl)ethylamino]carbamodithioate, Oxazolium,2-(2-aminoethenyl)-4,5-dihydro-3,4-dimethyl-,iodide, Hydrazinecarbodithioic acid, 2-[1-(1-isoquinolinyl)ethyl]-, methyl ester
| Molecular Formula | C13H15N3S2 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 3.0379 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.07074 |
| Heavy Atoms | 18 |
| Complexity | 551.43256 |
Chemical Identifiers
| CAS Number | 87555-66-6 |
|---|---|
| SMILES | CC(C1=NC=CC2=CC=CC=C21)NNC(=S)SC |
Product Overview
methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate (CAS 87555-66-6), with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol. IUPAC: methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate.
Chemical Property Profile of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate
Property Insights of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate
The XLogP value of 3.0379 indicates that methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate has 2 hydrogen bond donor(s) and 4 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 methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate?
The CAS number of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate is 87555-66-6.
What is the molecular formula of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate?
The molecular formula of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate is C13H15N3S2.
What is the molecular weight of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate?
The molecular weight of methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate is 277.07 g/mol.
Where can I buy methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate?
You can request a quote for methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1-isoquinolin-1-ylethylamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.