1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea (CAS 120740-42-3) is a chemical compound with molecular formula C15H17N3S and molecular weight 271.11432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea, N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea, 1-benzyl-3-methyl-1-[(pyridin-3-yl)methyl]thiourea, n-benzyl-n-(3-pyridylmethyl)-n'-methylthiourea, A1ABG
Technical Specifications
| Molecular Formula | C15H17N3S |
| Molecular Weight | 271.11432 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.11432 Da |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
| SMILES | CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2 |
| InChIKey | DSMRJWBOXYJVMG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea is 120740-42-3.
What is the molecular formula of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea is C15H17N3S.
What is the molecular weight of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea is 271.11432 g/mol.
Where can I buy 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.