3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea
TL;DR: 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea (CAS 113471-15-1) 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.
3-(1,2-benzothiazol-3-yl)-1,1-dimethylurea
Also Known As: Tin etiopurpurin, Tin ethiopurpurin, Etiopurpurin, tin, SnET2, Tin etiopurpurin dichloride
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CN(C)C(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | XODPMSKTWHDBNQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea
Property Insights of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea. Following Lipinski's Rule of Five, 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea 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
What is the CAS number of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea?
The CAS number of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea is 113471-15-1.
What is the molecular formula of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea?
The molecular formula of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea is C10H11N3OS.
What is the molecular weight of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea?
The molecular weight of 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea is 221.06229 g/mol.
Where can I buy 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea?
You can request a quote for 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea?
Yes, CoreyChem provides custom synthesis services for 3-(1,2-Benzothiazol-3-yl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.