1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea
TL;DR: 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea (CAS 24898-57-5) is a chemical compound with molecular formula C12H13N5S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea
Also Known As: 2-(1-Isoquinolinylmethylene)-2'-methylcarbonothioic dihydrazide, CARBONOTHIOIC DIHYDRAZIDE, 2-(1-ISOQUINOLINYLMETHYLENE)-2'-METHYL-, Carbonothioicdihydrazide, 2-(1-isoquinolinylmethylene)-2'-methyl- (9CI)
| Molecular Formula | C12H13N5S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 1.1672 |
| Topological Polar Surface Area | 61.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08917 |
| Heavy Atoms | 18 |
| Complexity | 576.1944 |
Chemical Identifiers
| CAS Number | 24898-57-5 |
|---|---|
| SMILES | CNNC(=S)NN=CC1=NC=CC2=CC=CC=C21 |
Product Overview
1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea (CAS 24898-57-5), with molecular formula C12H13N5S and molecular weight 259.09 g/mol. IUPAC: 1-(isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea.
Chemical Property Profile of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea
Property Insights of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea
The XLogP value of 1.1672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea. The TPSA of 61.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea. Following Lipinski's Rule of Five, 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea has 3 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 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea?
The CAS number of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea is 24898-57-5.
What is the molecular formula of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea?
The molecular formula of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea is C12H13N5S.
What is the molecular weight of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea?
The molecular weight of 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea is 259.09 g/mol.
Where can I buy 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea?
You can request a quote for 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isoquinolin-1-ylmethylideneamino)-3-(methylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.