N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
TL;DR: N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea (CAS 161287-88-3) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)thiourea
Also Known As: N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea, 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)thiourea, 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)thiourea, Thiourea, N-methyl-N'-(2-methyl-6-benzoxazolyl)-, 2W-0860
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| SMILES | CC1=NC2=C(O1)C=C(C=C2)NC(=S)NC |
| InChIKey | NINZMKKXHNOYNP-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
Property Insights of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea. Following Lipinski's Rule of Five, N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The CAS number of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is 161287-88-3.
What is the molecular formula of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The molecular formula of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is C10H11N3OS.
What is the molecular weight of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The molecular weight of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is 221.06229 g/mol.
Where can I buy N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
You can request a quote for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.