2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone
TL;DR: 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone (CAS 16552-98-0) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(pyridin-2-ylmethylideneamino)thiourea
Also Known As: 1,1-dimethyl-3-(pyridin-2-ylmethylideneamino)thiourea, 2-pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone, 1,1-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea, N,N-Dimethyl-N'-[(pyridin-2-yl)methylidene]carbamohydrazonothioic acid
| Molecular Formula | C9H12N4S |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 0.8516 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07826 |
| Heavy Atoms | 14 |
| Complexity | 320.84366 |
Chemical Identifiers
| CAS Number | 16552-98-0 |
|---|---|
| SMILES | CN(C)C(=S)NN=CC1=CC=CC=N1 |
Product Overview
2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone (CAS 16552-98-0), with molecular formula C9H12N4S and molecular weight 208.08 g/mol. IUPAC: 1,1-dimethyl-3-(pyridin-2-ylmethylideneamino)thiourea.
Chemical Property Profile of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone
Property Insights of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone
The XLogP value of 0.8516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone. With a topological polar surface area (TPSA) of 40.52 Ų, 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone has 1 hydrogen bond donor(s) and 3 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 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone?
The CAS number of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone is 16552-98-0.
What is the molecular formula of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone?
The molecular formula of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone is C9H12N4S.
What is the molecular weight of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone?
The molecular weight of 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone is 208.08 g/mol.
Where can I buy 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone?
You can request a quote for 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarboxaldehyde-4,4-dimethylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.