methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate
TL;DR: methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate (CAS 24898-58-6) is a chemical compound with molecular formula C12H11N3S2 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate
Also Known As: Mimdtc, NCI60_004950, methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate, methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate
| Molecular Formula | C12H11N3S2 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 2.8062 |
| Topological Polar Surface Area | 37.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.03943 |
| Heavy Atoms | 17 |
| Complexity | 561.1842 |
Chemical Identifiers
| CAS Number | 24898-58-6 |
|---|---|
| SMILES | CSC(=S)NN=CC1=NC=CC2=CC=CC=C21 |
Product Overview
methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate (CAS 24898-58-6), with molecular formula C12H11N3S2 and molecular weight 261.04 g/mol. IUPAC: methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate.
Chemical Property Profile of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate
Property Insights of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate
The XLogP value of 2.8062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate. With a topological polar surface area (TPSA) of 37.28 Ų, methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate has 1 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-(isoquinolin-1-ylmethylideneamino)carbamodithioate?
The CAS number of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate is 24898-58-6.
What is the molecular formula of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate?
The molecular formula of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate is C12H11N3S2.
What is the molecular weight of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate?
The molecular weight of methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate is 261.04 g/mol.
Where can I buy methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate?
You can request a quote for methyl N-(isoquinolin-1-ylmethylideneamino)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-(isoquinolin-1-ylmethylideneamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(isoquinolin-1-ylmethylideneamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.