2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
TL;DR: 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide (CAS 446308-75-4) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
Also Known As: 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide, 1-(2-methylbenzoyl)-3-(pyrimidin-2-yl)thiourea, 3-(2-methylbenzoyl)-1-(pyrimidin-2-yl)thiourea, [3-(2-pyrimidinyl)thioureido](o-tolyl)methanone, 2-Methyl-N-[(pyrimidin-2-yl)carbamothioyl]benzamide
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.91182 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 600.60205 |
Chemical Identifiers
| CAS Number | 446308-75-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=NC=CC=N2 |
Product Overview
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide (CAS 446308-75-4), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
Property Insights of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
The XLogP value of 1.91182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide 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 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
The CAS number of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is 446308-75-4.
What is the molecular formula of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
The molecular formula of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is C13H12N4OS.
What is the molecular weight of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
The molecular weight of 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is 272.07 g/mol.
Where can I buy 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
You can request a quote for 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.